4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-[2-(2-hydroxyethoxy)ethylamino]benzamide;4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-(3-hydroxypropylamino)benzamide

C59H50F2N10O5 — CID 87350327

IUPAC4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-[2-(2-hydroxyethoxy)ethylamino]benzamide;4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-(3-hydroxypropylamino)benzamide
SMILESNC(=O)c1ccc(-n2c3ccccc3c3c(-c4nc5ccc(F)cc5[nH]4)cccc32)cc1NCCCO.NC(=O)c1ccc(-n2c3ccccc3c3c(-c4nc5ccc(F)cc5[nH]4)cccc32)cc1NCCOCCO
InChIInChI=1S/C30H26FN5O3.C29H24FN5O2/c31-18-8-11-23-25(16-18)35-30(34-23)22-5-3-7-27-28(22)21-4-1-2-6-26(21)36(27)19-9-10-20(29(32)38)24(17-19)33-12-14-39-15-13-37;30-17-9-12-22-24(15-17)34-29(33-22)21-6-3-8-26-27(21)20-5-1-2-7-25(20)35(26)18-10-11-19(28(31)37)23(16-18)32-13-4-14-36/h1-11,16-17,33,37H,12-15H2,(H2,32,38)(H,34,35);1-3,5-12,15-16,32,36H,4,13-14H2,(H2,31,37)(H,33,34)
InChIKeyGMVNGGUTZANVPW-UHFFFAOYSA-N
MW1017.11 g/mol
LogP10.35
Rot. Bonds16

About 4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-[2-(2-hydroxyethoxy)ethylamino]benzamide;4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-(3-hydroxypropylamino)benzamide

4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-[2-(2-hydroxyethoxy)ethylamino]benzamide;4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-(3-hydroxypropylamino)benzamide (PubChem CID 87350327) has the molecular formula C59H50F2N10O5 and a molecular weight of 1017.11 g/mol. Its IUPAC name is 4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-[2-(2-hydroxyethoxy)ethylamino]benzamide;4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-(3-hydroxypropylamino)benzamide.

Molecular Properties

Compound Name4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-[2-(2-hydroxyethoxy)ethylamino]benzamide;4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-(3-hydroxypropylamino)benzamide
PubChem CID87350327
Molecular FormulaC59H50F2N10O5
Molecular Weight1017.11 g/mol
Exact Mass1016.39
IUPAC Name4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-[2-(2-hydroxyethoxy)ethylamino]benzamide;4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-(3-hydroxypropylamino)benzamide
SMILESNC(=O)c1ccc(-n2c3ccccc3c3c(-c4nc5ccc(F)cc5[nH]4)cccc32)cc1NCCCO.NC(=O)c1ccc(-n2c3ccccc3c3c(-c4nc5ccc(F)cc5[nH]4)cccc32)cc1NCCOCCO
InChIInChI=1S/C30H26FN5O3.C29H24FN5O2/c31-18-8-11-23-25(16-18)35-30(34-23)22-5-3-7-27-28(22)21-4-1-2-6-26(21)36(27)19-9-10-20(29(32)38)24(17-19)33-12-14-39-15-13-37;30-17-9-12-22-24(15-17)34-29(33-22)21-6-3-8-26-27(21)20-5-1-2-7-25(20)35(26)18-10-11-19(28(31)37)23(16-18)32-13-4-14-36/h1-11,16-17,33,37H,12-15H2,(H2,32,38)(H,34,35);1-3,5-12,15-16,32,36H,4,13-14H2,(H2,31,37)(H,33,34)
InChIKeyGMVNGGUTZANVPW-UHFFFAOYSA-N
XLogP10.35
TPSA227.15 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms76
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001017.11
LogP ≤ 510.35
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3-amino-3-oxopropyl)amino]-4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]benzamide
CID 58338225
4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-(1H-pyrazol-5-ylmethylamino)benzamide
CID 58338254
4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]amino]benzamide
CID 58338322
2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]amino]-4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]benzamide
CID 58338185
[4-[2-carbamoyl-5-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]anilino]cyclohexyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 58338325
N-cyclohexyl-5-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-prop-1-en-2-ylaniline;3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 143871378
3-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-[(4-hydroxy-1-methylpiperidin-4-yl)methylamino]benzamide
CID 67308341
2-(cyclohexylamino)-4-[4-(6-fluoro-1H-benzimidazol-2-yl)indol-1-yl]benzamide
CID 123990300
2-[2-(dimethylamino)ethylamino]-4-[2-[4-(6-fluoro-1H-benzimidazol-2-yl)-9H-fluoren-9-yl]ethyl]benzamide
CID 143871509
2-(piperidin-4-ylamino)-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide
CID 58338230
4-[4-(6-fluoro-1H-benzimidazol-2-yl)-2,3-dimethylindol-1-yl]-2-[(4-hydroxycyclohexyl)amino]benzonitrile
CID 66897655
acetic acid;2-(cyclohexylamino)-4-methylbenzamide;6-fluoro-2-[3-methyl-2-(2-methylphenyl)phenyl]-1H-benzimidazole
CID 143871428

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-[2-(2-hydroxyethoxy)ethylamino]benzamide;4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-(3-hydroxypropylamino)benzamide?
The IUPAC name of 4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-[2-(2-hydroxyethoxy)ethylamino]benzamide;4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-(3-hydroxypropylamino)benzamide (CID 87350327) is 4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-[2-(2-hydroxyethoxy)ethylamino]benzamide;4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-(3-hydroxypropylamino)benzamide.
What is the SMILES notation for 4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-[2-(2-hydroxyethoxy)ethylamino]benzamide;4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-(3-hydroxypropylamino)benzamide?
The canonical SMILES for 4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-[2-(2-hydroxyethoxy)ethylamino]benzamide;4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-(3-hydroxypropylamino)benzamide is NC(=O)c1ccc(-n2c3ccccc3c3c(-c4nc5ccc(F)cc5[nH]4)cccc32)cc1NCCCO.NC(=O)c1ccc(-n2c3ccccc3c3c(-c4nc5ccc(F)cc5[nH]4)cccc32)cc1NCCOCCO.
What is the InChIKey of 4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-[2-(2-hydroxyethoxy)ethylamino]benzamide;4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-(3-hydroxypropylamino)benzamide?
The InChIKey is GMVNGGUTZANVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN5O3.C29H24FN5O2/c31-18-8-11-23-25(16-18)35-30(34-23)22-5-3-7-27-28(22)21-4-1-2-6-26(21)36(27)19-9-10-20(29(32)38)24(17-19)33-12-14-39-15-13-37;30-17-9-12-22-24(15-17)34-29(33-22)21-6-3-8-26-27(21)20-5-1-2-7-25(20)35(26)18-10-11-19(28(31)37)23(16-18)32-13-4-14-36/h1-11,16-17,33,37H,12-15H2,(H2,32,38)(H,34,35);1-3,5-12,15-16,32,36H,4,13-14H2,(H2,31,37)(H,33,34).
What are the key properties of 4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-[2-(2-hydroxyethoxy)ethylamino]benzamide;4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-(3-hydroxypropylamino)benzamide?
4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-[2-(2-hydroxyethoxy)ethylamino]benzamide;4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-(3-hydroxypropylamino)benzamide has a molecular weight of 1017.11 g/mol, XLogP of 10.35, 16 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-[2-(2-hydroxyethoxy)ethylamino]benzamide;4-[4-(6-fluoro-1H-benzimidazol-2-yl)carbazol-9-yl]-2-(3-hydroxypropylamino)benzamide is sourced from PubChem (CID 87350327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).