3-(2-acetyl-6-imidazol-1-ylcarbazol-9-yl)propanamide;4-[2-acetyl-7-(imidazol-1-ylmethyl)carbazol-9-yl]-3-nitrobenzamide;3-[2-acetyl-7-(imidazol-1-ylmethyl)carbazol-9-yl]propanamide;1-[7-(hydroxymethyl)-9H-carbazol-2-yl]ethanone;3-[6-imidazol-1-yl-2-(3-oxobutyl)carbazol-9-yl]propanamide

C103H92N18O12 — CID 161336915

IUPAC3-(2-acetyl-6-imidazol-1-ylcarbazol-9-yl)propanamide;4-[2-acetyl-7-(imidazol-1-ylmethyl)carbazol-9-yl]-3-nitrobenzamide;3-[2-acetyl-7-(imidazol-1-ylmethyl)carbazol-9-yl]propanamide;1-[7-(hydroxymethyl)-9H-carbazol-2-yl]ethanone;3-[6-imidazol-1-yl-2-(3-oxobutyl)carbazol-9-yl]propanamide
SMILESCC(=O)CCc1ccc2c3cc(-n4ccnc4)ccc3n(CCC(N)=O)c2c1.CC(=O)c1ccc2c(c1)[nH]c1cc(CO)ccc12.CC(=O)c1ccc2c3cc(-n4ccnc4)ccc3n(CCC(N)=O)c2c1.CC(=O)c1ccc2c3ccc(Cn4ccnc4)cc3n(-c3ccc(C(N)=O)cc3[N+](=O)[O-])c2c1.CC(=O)c1ccc2c3ccc(Cn4ccnc4)cc3n(CCC(N)=O)c2c1
InChIInChI=1S/C25H19N5O4.C22H22N4O2.C21H20N4O2.C20H18N4O2.C15H13NO2/c1-15(31)17-3-6-20-19-5-2-16(13-28-9-8-27-14-28)10-22(19)29(23(20)11-17)21-7-4-18(25(26)32)12-24(21)30(33)34;1-15(27)2-3-16-4-6-18-19-13-17(25-11-9-24-14-25)5-7-20(19)26(21(18)12-16)10-8-22(23)28;1-14(26)16-3-5-18-17-4-2-15(12-24-9-7-23-13-24)10-19(17)25(20(18)11-16)8-6-21(22)27;1-13(25)14-2-4-16-17-11-15(23-9-7-22-12-23)3-5-18(17)24(19(16)10-14)8-6-20(21)26;1-9(18)11-3-5-13-12-4-2-10(8-17)6-14(12)16-15(13)7-11/h2-12,14H,13H2,1H3,(H2,26,32);4-7,9,11-14H,2-3,8,10H2,1H3,(H2,23,28);2-5,7,9-11,13H,6,8,12H2,1H3,(H2,22,27);2-5,7,9-12H,6,8H2,1H3,(H2,21,26);2-7,16-17H,8H2,1H3
InChIKeyVMDQDXHUZWVKRQ-UHFFFAOYSA-N
MW1773.98 g/mol
LogP16.81
Rot. Bonds26

About 3-(2-acetyl-6-imidazol-1-ylcarbazol-9-yl)propanamide;4-[2-acetyl-7-(imidazol-1-ylmethyl)carbazol-9-yl]-3-nitrobenzamide;3-[2-acetyl-7-(imidazol-1-ylmethyl)carbazol-9-yl]propanamide;1-[7-(hydroxymethyl)-9H-carbazol-2-yl]ethanone;3-[6-imidazol-1-yl-2-(3-oxobutyl)carbazol-9-yl]propanamide

3-(2-acetyl-6-imidazol-1-ylcarbazol-9-yl)propanamide;4-[2-acetyl-7-(imidazol-1-ylmethyl)carbazol-9-yl]-3-nitrobenzamide;3-[2-acetyl-7-(imidazol-1-ylmethyl)carbazol-9-yl]propanamide;1-[7-(hydroxymethyl)-9H-carbazol-2-yl]ethanone;3-[6-imidazol-1-yl-2-(3-oxobutyl)carbazol-9-yl]propanamide (PubChem CID 161336915) has the molecular formula C103H92N18O12 and a molecular weight of 1773.98 g/mol. Its IUPAC name is 3-(2-acetyl-6-imidazol-1-ylcarbazol-9-yl)propanamide;4-[2-acetyl-7-(imidazol-1-ylmethyl)carbazol-9-yl]-3-nitrobenzamide;3-[2-acetyl-7-(imidazol-1-ylmethyl)carbazol-9-yl]propanamide;1-[7-(hydroxymethyl)-9H-carbazol-2-yl]ethanone;3-[6-imidazol-1-yl-2-(3-oxobutyl)carbazol-9-yl]propanamide.

Molecular Properties

Compound Name3-(2-acetyl-6-imidazol-1-ylcarbazol-9-yl)propanamide;4-[2-acetyl-7-(imidazol-1-ylmethyl)carbazol-9-yl]-3-nitrobenzamide;3-[2-acetyl-7-(imidazol-1-ylmethyl)carbazol-9-yl]propanamide;1-[7-(hydroxymethyl)-9H-carbazol-2-yl]ethanone;3-[6-imidazol-1-yl-2-(3-oxobutyl)carbazol-9-yl]propanamide
PubChem CID161336915
Molecular FormulaC103H92N18O12
Molecular Weight1773.98 g/mol
Exact Mass1772.71
IUPAC Name3-(2-acetyl-6-imidazol-1-ylcarbazol-9-yl)propanamide;4-[2-acetyl-7-(imidazol-1-ylmethyl)carbazol-9-yl]-3-nitrobenzamide;3-[2-acetyl-7-(imidazol-1-ylmethyl)carbazol-9-yl]propanamide;1-[7-(hydroxymethyl)-9H-carbazol-2-yl]ethanone;3-[6-imidazol-1-yl-2-(3-oxobutyl)carbazol-9-yl]propanamide
SMILESCC(=O)CCc1ccc2c3cc(-n4ccnc4)ccc3n(CCC(N)=O)c2c1.CC(=O)c1ccc2c(c1)[nH]c1cc(CO)ccc12.CC(=O)c1ccc2c3cc(-n4ccnc4)ccc3n(CCC(N)=O)c2c1.CC(=O)c1ccc2c3ccc(Cn4ccnc4)cc3n(-c3ccc(C(N)=O)cc3[N+](=O)[O-])c2c1.CC(=O)c1ccc2c3ccc(Cn4ccnc4)cc3n(CCC(N)=O)c2c1
InChIInChI=1S/C25H19N5O4.C22H22N4O2.C21H20N4O2.C20H18N4O2.C15H13NO2/c1-15(31)17-3-6-20-19-5-2-16(13-28-9-8-27-14-28)10-22(19)29(23(20)11-17)21-7-4-18(25(26)32)12-24(21)30(33)34;1-15(27)2-3-16-4-6-18-19-13-17(25-11-9-24-14-25)5-7-20(19)26(21(18)12-16)10-8-22(23)28;1-14(26)16-3-5-18-17-4-2-15(12-24-9-7-23-13-24)10-19(17)25(20(18)11-16)8-6-21(22)27;1-13(25)14-2-4-16-17-11-15(23-9-7-22-12-23)3-5-18(17)24(19(16)10-14)8-6-20(21)26;1-9(18)11-3-5-13-12-4-2-10(8-17)6-14(12)16-15(13)7-11/h2-12,14H,13H2,1H3,(H2,26,32);4-7,9,11-14H,2-3,8,10H2,1H3,(H2,23,28);2-5,7,9-11,13H,6,8,12H2,1H3,(H2,22,27);2-5,7,9-12H,6,8H2,1H3,(H2,21,26);2-7,16-17H,8H2,1H3
InChIKeyVMDQDXHUZWVKRQ-UHFFFAOYSA-N
XLogP16.81
TPSA427.87 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds26
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001773.98
LogP ≤ 516.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-amino-1,3-dihydroindol-2-one;1-(3-aminophenyl)-3-(2-oxo-1,3-dihydroindol-6-yl)urea;1-isocyanato-3-nitrobenzene;methoxymethane;3-(4-methylimidazol-1-yl)-N-[3-[(2-oxo-1,3-dihydroindol-6-yl)carbamoylamino]phenyl]-5-(trifluoromethyl)benzamide;3-(4-methylimidazol-1-yl)-N-[3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]carbamoylamino]phenyl]-5-(trifluoromethyl)benzamide;3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoic acid;1-(3-nitrophenyl)-3-(2-oxo-1,3-dihydroindol-6-yl)urea;1H-pyrrole-2-carbaldehyde
CID 161752633
2-(4-imidazol-1-yl-3-nitrophenyl)-3H-benzimidazole-5-carboxylic acid
CID 139212868
9-(4-Carbamoyl-2-nitrophenyl)-6-(imidazol-1-ylmethyl)carbazole-2-carboxylic acid
CID 135358862
4-(1-cyclohexylbenzimidazol-5-yl)-N-[[(3S)-1-[7-(1-cyclohexylbenzimidazol-5-yl)-4-nitro-1H-benzimidazol-5-yl]pyrrolidin-3-yl]-hydroxymethyl]-3H-imidazo[4,5-c]pyridine-7-carboxamide
CID 136999857
9-(4-Carbamoyl-2-nitrophenyl)-7-(imidazol-1-ylmethyl)carbazole-2-carboxylic acid
CID 148231822
4-aminobenzoic acid;2-[4-[6-[2-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]-1-[(2S)-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethanone;4-nitrobenzene-1,2-diamine;4-(6-nitro-1H-benzimidazol-2-yl)aniline
CID 157052176
N-[2-(dimethylamino)ethyl]-1-(4-pyrazol-1-ylphenyl)benzimidazole-5-carboxamide;4-fluoro-3-nitrobenzoic acid;3-nitro-4-(4-pyrazol-1-ylanilino)benzoic acid;4-pyrazol-1-ylaniline;1-(4-pyrazol-1-ylphenyl)benzimidazole-5-carboxylic acid
CID 157103413
(3Z)-4-(3-aminophenyl)-1-methyl-3-(1H-pyrrol-2-ylmethylidene)indol-2-one;(3Z)-4-[3-[4-[5-(dimethylamino)pentyl]phenyl]-3-hydroxyprop-1-ynyl]-1-methyl-3-[(3-methyl-1H-pyrrol-2-yl)methylidene]-5-nitroindol-2-one;(8Z)-2,6-dimethyl-8-[(3-methyl-1H-pyrrol-2-yl)methylidene]-3H-pyrrolo[3,2-e]benzimidazol-7-one;(9Z)-2,3,7-trimethyl-9-[(3-methyl-1H-pyrrol-2-yl)methylidene]pyrrolo[3,2-f]quinoxalin-8-one
CID 158060245
2-[5-benzyl-3-(3H-inden-4-ylmethyl)imidazol-4-yl]acetamide;2-[5-benzyl-3-(1H-indol-6-ylmethyl)imidazol-4-yl]acetamide;2-[5-benzyl-3-[(2-oxo-1,3-dihydroindol-4-yl)methyl]imidazol-4-yl]acetamide;2-[5-benzyl-3-[(2-oxo-1,3-dihydroindol-5-yl)methyl]imidazol-4-yl]acetamide;4-[[5-(2-hydroxypropyl)-4-phenylimidazol-1-yl]methyl]-1,3-dihydroindol-2-one;1-[3-(3H-inden-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;1-[3-(1H-indol-5-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol;1-[3-(1H-indol-7-ylmethyl)-5-phenylimidazol-4-yl]propan-2-ol
CID 158943741
9-(3-Amino-3-oxopropyl)-7-imidazol-1-ylcarbazole-3-carboxylic acid;9-(3-amino-3-oxopropyl)-6-(2-methylimidazol-1-yl)carbazole-2-carboxylic acid;9-(3-amino-3-oxopropyl)-6-(4-methylimidazol-1-yl)carbazole-3-carboxylic acid
CID 158971211
N-(3-acetamidophenyl)-2-(3,6-dioxido-4,5-dihydrotriazolo[4,5-e][2,1,3]benzoxadiazole-3,6-diium-7-yl)benzamide;2-(3,6-dioxido-4,5-dihydrotriazolo[4,5-e][2,1,3]benzoxadiazole-3,6-diium-7-yl)-N-[3-(hydroxymethyl)phenyl]benzamide;2-(3,6-dioxido-4,5-dihydrotriazolo[4,5-e][2,1,3]benzoxadiazole-3,6-diium-7-yl)-N-(3-imidazol-1-ylpropyl)benzamide;2-(3,6-dioxido-4,5-dihydrotriazolo[4,5-e][2,1,3]benzoxadiazole-3,6-diium-7-yl)-N-(3-phenylphenyl)benzamide
CID 159259964
5-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-fluorophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-5-nitro-1H-indole;4-(1H-phenanthro[9,10-d]imidazol-2-yl)benzoic acid;3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(1H-pyrrol-2-yl)-1H-phenanthro[9,10-d]imidazole
CID 159739011

Frequently Asked Questions

What is the IUPAC name of 3-(2-acetyl-6-imidazol-1-ylcarbazol-9-yl)propanamide;4-[2-acetyl-7-(imidazol-1-ylmethyl)carbazol-9-yl]-3-nitrobenzamide;3-[2-acetyl-7-(imidazol-1-ylmethyl)carbazol-9-yl]propanamide;1-[7-(hydroxymethyl)-9H-carbazol-2-yl]ethanone;3-[6-imidazol-1-yl-2-(3-oxobutyl)carbazol-9-yl]propanamide?
The IUPAC name of 3-(2-acetyl-6-imidazol-1-ylcarbazol-9-yl)propanamide;4-[2-acetyl-7-(imidazol-1-ylmethyl)carbazol-9-yl]-3-nitrobenzamide;3-[2-acetyl-7-(imidazol-1-ylmethyl)carbazol-9-yl]propanamide;1-[7-(hydroxymethyl)-9H-carbazol-2-yl]ethanone;3-[6-imidazol-1-yl-2-(3-oxobutyl)carbazol-9-yl]propanamide (CID 161336915) is 3-(2-acetyl-6-imidazol-1-ylcarbazol-9-yl)propanamide;4-[2-acetyl-7-(imidazol-1-ylmethyl)carbazol-9-yl]-3-nitrobenzamide;3-[2-acetyl-7-(imidazol-1-ylmethyl)carbazol-9-yl]propanamide;1-[7-(hydroxymethyl)-9H-carbazol-2-yl]ethanone;3-[6-imidazol-1-yl-2-(3-oxobutyl)carbazol-9-yl]propanamide.
What is the SMILES notation for 3-(2-acetyl-6-imidazol-1-ylcarbazol-9-yl)propanamide;4-[2-acetyl-7-(imidazol-1-ylmethyl)carbazol-9-yl]-3-nitrobenzamide;3-[2-acetyl-7-(imidazol-1-ylmethyl)carbazol-9-yl]propanamide;1-[7-(hydroxymethyl)-9H-carbazol-2-yl]ethanone;3-[6-imidazol-1-yl-2-(3-oxobutyl)carbazol-9-yl]propanamide?
The canonical SMILES for 3-(2-acetyl-6-imidazol-1-ylcarbazol-9-yl)propanamide;4-[2-acetyl-7-(imidazol-1-ylmethyl)carbazol-9-yl]-3-nitrobenzamide;3-[2-acetyl-7-(imidazol-1-ylmethyl)carbazol-9-yl]propanamide;1-[7-(hydroxymethyl)-9H-carbazol-2-yl]ethanone;3-[6-imidazol-1-yl-2-(3-oxobutyl)carbazol-9-yl]propanamide is CC(=O)CCc1ccc2c3cc(-n4ccnc4)ccc3n(CCC(N)=O)c2c1.CC(=O)c1ccc2c(c1)[nH]c1cc(CO)ccc12.CC(=O)c1ccc2c3cc(-n4ccnc4)ccc3n(CCC(N)=O)c2c1.CC(=O)c1ccc2c3ccc(Cn4ccnc4)cc3n(-c3ccc(C(N)=O)cc3[N+](=O)[O-])c2c1.CC(=O)c1ccc2c3ccc(Cn4ccnc4)cc3n(CCC(N)=O)c2c1.
What is the InChIKey of 3-(2-acetyl-6-imidazol-1-ylcarbazol-9-yl)propanamide;4-[2-acetyl-7-(imidazol-1-ylmethyl)carbazol-9-yl]-3-nitrobenzamide;3-[2-acetyl-7-(imidazol-1-ylmethyl)carbazol-9-yl]propanamide;1-[7-(hydroxymethyl)-9H-carbazol-2-yl]ethanone;3-[6-imidazol-1-yl-2-(3-oxobutyl)carbazol-9-yl]propanamide?
The InChIKey is VMDQDXHUZWVKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O4.C22H22N4O2.C21H20N4O2.C20H18N4O2.C15H13NO2/c1-15(31)17-3-6-20-19-5-2-16(13-28-9-8-27-14-28)10-22(19)29(23(20)11-17)21-7-4-18(25(26)32)12-24(21)30(33)34;1-15(27)2-3-16-4-6-18-19-13-17(25-11-9-24-14-25)5-7-20(19)26(21(18)12-16)10-8-22(23)28;1-14(26)16-3-5-18-17-4-2-15(12-24-9-7-23-13-24)10-19(17)25(20(18)11-16)8-6-21(22)27;1-13(25)14-2-4-16-17-11-15(23-9-7-22-12-23)3-5-18(17)24(19(16)10-14)8-6-20(21)26;1-9(18)11-3-5-13-12-4-2-10(8-17)6-14(12)16-15(13)7-11/h2-12,14H,13H2,1H3,(H2,26,32);4-7,9,11-14H,2-3,8,10H2,1H3,(H2,23,28);2-5,7,9-11,13H,6,8,12H2,1H3,(H2,22,27);2-5,7,9-12H,6,8H2,1H3,(H2,21,26);2-7,16-17H,8H2,1H3.
What are the key properties of 3-(2-acetyl-6-imidazol-1-ylcarbazol-9-yl)propanamide;4-[2-acetyl-7-(imidazol-1-ylmethyl)carbazol-9-yl]-3-nitrobenzamide;3-[2-acetyl-7-(imidazol-1-ylmethyl)carbazol-9-yl]propanamide;1-[7-(hydroxymethyl)-9H-carbazol-2-yl]ethanone;3-[6-imidazol-1-yl-2-(3-oxobutyl)carbazol-9-yl]propanamide?
3-(2-acetyl-6-imidazol-1-ylcarbazol-9-yl)propanamide;4-[2-acetyl-7-(imidazol-1-ylmethyl)carbazol-9-yl]-3-nitrobenzamide;3-[2-acetyl-7-(imidazol-1-ylmethyl)carbazol-9-yl]propanamide;1-[7-(hydroxymethyl)-9H-carbazol-2-yl]ethanone;3-[6-imidazol-1-yl-2-(3-oxobutyl)carbazol-9-yl]propanamide has a molecular weight of 1773.98 g/mol, XLogP of 16.81, 26 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-acetyl-6-imidazol-1-ylcarbazol-9-yl)propanamide;4-[2-acetyl-7-(imidazol-1-ylmethyl)carbazol-9-yl]-3-nitrobenzamide;3-[2-acetyl-7-(imidazol-1-ylmethyl)carbazol-9-yl]propanamide;1-[7-(hydroxymethyl)-9H-carbazol-2-yl]ethanone;3-[6-imidazol-1-yl-2-(3-oxobutyl)carbazol-9-yl]propanamide is sourced from PubChem (CID 161336915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).