[1-[7-(dimethylamino)-2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid

C27H32N6O3 — CID 122703087

IUPAC[1-[7-(dimethylamino)-2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
SMILESCCn1c(-c2nc3cc(C(=O)N4CCCC(NC(=O)O)C4)cc(N(C)C)c3n2C)cc2ccccc21
InChIInChI=1S/C27H32N6O3/c1-5-33-21-11-7-6-9-17(21)14-23(33)25-29-20-13-18(15-22(30(2)3)24(20)31(25)4)26(34)32-12-8-10-19(16-32)28-27(35)36/h6-7,9,11,13-15,19,28H,5,8,10,12,16H2,1-4H3,(H,35,36)
InChIKeyOOLMTAMSNUCDSX-UHFFFAOYSA-N
MW488.59 g/mol
LogP4.15
Rot. Bonds5

About [1-[7-(dimethylamino)-2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid

[1-[7-(dimethylamino)-2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid (PubChem CID 122703087) has the molecular formula C27H32N6O3 and a molecular weight of 488.59 g/mol. Its IUPAC name is [1-[7-(dimethylamino)-2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[1-[7-(dimethylamino)-2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
PubChem CID122703087
Molecular FormulaC27H32N6O3
Molecular Weight488.59 g/mol
Exact Mass488.25
IUPAC Name[1-[7-(dimethylamino)-2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
SMILESCCn1c(-c2nc3cc(C(=O)N4CCCC(NC(=O)O)C4)cc(N(C)C)c3n2C)cc2ccccc21
InChIInChI=1S/C27H32N6O3/c1-5-33-21-11-7-6-9-17(21)14-23(33)25-29-20-13-18(15-22(30(2)3)24(20)31(25)4)26(34)32-12-8-10-19(16-32)28-27(35)36/h6-7,9,11,13-15,19,28H,5,8,10,12,16H2,1-4H3,(H,35,36)
InChIKeyOOLMTAMSNUCDSX-UHFFFAOYSA-N
XLogP4.15
TPSA95.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[7-methoxy-2-[1-(2-methoxyethyl)indol-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
CID 122703171
[1-[2-[1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
CID 122703116
[(3R)-1-[2-(1-ethylpyrrolo[3,2-b]pyridin-2-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
CID 155433399
[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1-methyl-7-(methylamino)benzimidazol-5-yl]methanone
CID 122703008
6-(3-aminopiperidine-1-carbonyl)-2-(1-ethylindol-2-yl)-3-methylbenzimidazole-4-carbonitrile
CID 122703018
[(3R)-1-[2-[1-[(4-iodophenyl)methyl]indol-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
CID 135355666
[2-tert-butyl-1-[7-(dimethylamino)-2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate
CID 175103682
[1-[2-(6-ethyl-2-methylthieno[2,3-b]pyrrol-5-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
CID 155433390
[(3R)-1-[2-(1-ethyl-6-methoxyindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
CID 122703113
[(3R)-1-[1-methyl-2-[1-[(1-methylpyrazol-4-yl)methyl]indol-2-yl]benzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
CID 135355683
[(3R)-1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate
CID 175351492
[1-[2-(1-ethylindol-2-yl)-7-hydroxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl] carbamate
CID 175351494

Frequently Asked Questions

What is the IUPAC name of [1-[7-(dimethylamino)-2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid?
The IUPAC name of [1-[7-(dimethylamino)-2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid (CID 122703087) is [1-[7-(dimethylamino)-2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid.
What is the SMILES notation for [1-[7-(dimethylamino)-2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid?
The canonical SMILES for [1-[7-(dimethylamino)-2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid is CCn1c(-c2nc3cc(C(=O)N4CCCC(NC(=O)O)C4)cc(N(C)C)c3n2C)cc2ccccc21.
What is the InChIKey of [1-[7-(dimethylamino)-2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid?
The InChIKey is OOLMTAMSNUCDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O3/c1-5-33-21-11-7-6-9-17(21)14-23(33)25-29-20-13-18(15-22(30(2)3)24(20)31(25)4)26(34)32-12-8-10-19(16-32)28-27(35)36/h6-7,9,11,13-15,19,28H,5,8,10,12,16H2,1-4H3,(H,35,36).
What are the key properties of [1-[7-(dimethylamino)-2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid?
[1-[7-(dimethylamino)-2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid has a molecular weight of 488.59 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[7-(dimethylamino)-2-(1-ethylindol-2-yl)-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid is sourced from PubChem (CID 122703087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).