7-[1-[(1R,2R)-2-fluorocyclohexyl]benzimidazol-5-yl]-5-[2-hydroxyethyl(methyl)amino]-3H-benzimidazole-4-carboxamide

C24H27FN6O2 — CID 126480992

IUPAC7-[1-[(1R,2R)-2-fluorocyclohexyl]benzimidazol-5-yl]-5-[2-hydroxyethyl(methyl)amino]-3H-benzimidazole-4-carboxamide
SMILESCN(CCO)c1cc(-c2ccc3c(c2)ncn3[C@@H]2CCCC[C@H]2F)c2nc[nH]c2c1C(N)=O
InChIInChI=1S/C24H27FN6O2/c1-30(8-9-32)20-11-15(22-23(28-12-27-22)21(20)24(26)33)14-6-7-19-17(10-14)29-13-31(19)18-5-3-2-4-16(18)25/h6-7,10-13,16,18,32H,2-5,8-9H2,1H3,(H2,26,33)(H,27,28)/t16-,18-/m1/s1
InChIKeyPXNPHNOFFIXLFV-SJLPKXTDSA-N
MW450.52 g/mol
LogP3.56
Rot. Bonds6

About 7-[1-[(1R,2R)-2-fluorocyclohexyl]benzimidazol-5-yl]-5-[2-hydroxyethyl(methyl)amino]-3H-benzimidazole-4-carboxamide

7-[1-[(1R,2R)-2-fluorocyclohexyl]benzimidazol-5-yl]-5-[2-hydroxyethyl(methyl)amino]-3H-benzimidazole-4-carboxamide (PubChem CID 126480992) has the molecular formula C24H27FN6O2 and a molecular weight of 450.52 g/mol. Its IUPAC name is 7-[1-[(1R,2R)-2-fluorocyclohexyl]benzimidazol-5-yl]-5-[2-hydroxyethyl(methyl)amino]-3H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name7-[1-[(1R,2R)-2-fluorocyclohexyl]benzimidazol-5-yl]-5-[2-hydroxyethyl(methyl)amino]-3H-benzimidazole-4-carboxamide
PubChem CID126480992
Molecular FormulaC24H27FN6O2
Molecular Weight450.52 g/mol
Exact Mass450.22
IUPAC Name7-[1-[(1R,2R)-2-fluorocyclohexyl]benzimidazol-5-yl]-5-[2-hydroxyethyl(methyl)amino]-3H-benzimidazole-4-carboxamide
SMILESCN(CCO)c1cc(-c2ccc3c(c2)ncn3[C@@H]2CCCC[C@H]2F)c2nc[nH]c2c1C(N)=O
InChIInChI=1S/C24H27FN6O2/c1-30(8-9-32)20-11-15(22-23(28-12-27-22)21(20)24(26)33)14-6-7-19-17(10-14)29-13-31(19)18-5-3-2-4-16(18)25/h6-7,10-13,16,18,32H,2-5,8-9H2,1H3,(H2,26,33)(H,27,28)/t16-,18-/m1/s1
InChIKeyPXNPHNOFFIXLFV-SJLPKXTDSA-N
XLogP3.56
TPSA113.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-[1-[(1R,2R)-2-fluorocyclohexyl]benzimidazol-5-yl]-5-[2-hydroxyethyl(methyl)amino]-3H-benzimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1,7-Dibenzylimidazo[4,5-f]benzimidazole-4-carbonyl)amino]acetic acid
CID 44472803
6-Amino-2-({2-[4-(2-Hydroxyethyl)phenyl]ethyl}amino)-1,7-Dihydro-8h-Imidazo[4,5-G]quinazolin-8-One
CID 135567189
N-[(2S,3R)-4-(cyclohexylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-ethyl-7-(2-oxopyrrolidin-1-yl)benzimidazole-5-carboxamide
CID 44528581
3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)-4-((S)-3-(3-fluorophenyl)-1-hydroxypropan-2-ylamino)pyridin-2(1H)-one
CID 135424490
3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)-4-((S)-1-hydroxy-3-phenylpropan-2-ylamino)pyridin-2(1H)-one
CID 136117992
N-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
CID 90229340
6-Amino-4-(2-(4-methylphenyl)ethyl)-1,7-dihydro-8H-imidazo(4,5-G)quinazolin-8-one
CID 135414394
2-(4-{[Bis-(2-hydroxy-ethyl)-amino]-methyl}-phenyl)-1H-benzoimidazole-4-carboxylic acid amide
CID 44317843
AChE/microRNA-15b inhibitor MG-6267
CID 162651220
N-[2-amino-1-[2-(1H-indol-3-yl)ethyl]benzimidazol-5-yl]-4-pentylbenzamide;hydrochloride
CID 90665415
3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)-4-(2-hydroxyethylamino)pyridin-2(1H)-one
CID 135681587
3-(6-(1H-imidazol-1-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)-4-((S)-3-(4-fluorophenyl)-1-hydroxypropan-2-ylamino)pyridin-2(1H)-one
CID 136117994

Frequently Asked Questions

What is the IUPAC name of 7-[1-[(1R,2R)-2-fluorocyclohexyl]benzimidazol-5-yl]-5-[2-hydroxyethyl(methyl)amino]-3H-benzimidazole-4-carboxamide?
The IUPAC name of 7-[1-[(1R,2R)-2-fluorocyclohexyl]benzimidazol-5-yl]-5-[2-hydroxyethyl(methyl)amino]-3H-benzimidazole-4-carboxamide (CID 126480992) is 7-[1-[(1R,2R)-2-fluorocyclohexyl]benzimidazol-5-yl]-5-[2-hydroxyethyl(methyl)amino]-3H-benzimidazole-4-carboxamide.
What is the SMILES notation for 7-[1-[(1R,2R)-2-fluorocyclohexyl]benzimidazol-5-yl]-5-[2-hydroxyethyl(methyl)amino]-3H-benzimidazole-4-carboxamide?
The canonical SMILES for 7-[1-[(1R,2R)-2-fluorocyclohexyl]benzimidazol-5-yl]-5-[2-hydroxyethyl(methyl)amino]-3H-benzimidazole-4-carboxamide is CN(CCO)c1cc(-c2ccc3c(c2)ncn3[C@@H]2CCCC[C@H]2F)c2nc[nH]c2c1C(N)=O.
What is the InChIKey of 7-[1-[(1R,2R)-2-fluorocyclohexyl]benzimidazol-5-yl]-5-[2-hydroxyethyl(methyl)amino]-3H-benzimidazole-4-carboxamide?
The InChIKey is PXNPHNOFFIXLFV-SJLPKXTDSA-N. The full InChI is InChI=1S/C24H27FN6O2/c1-30(8-9-32)20-11-15(22-23(28-12-27-22)21(20)24(26)33)14-6-7-19-17(10-14)29-13-31(19)18-5-3-2-4-16(18)25/h6-7,10-13,16,18,32H,2-5,8-9H2,1H3,(H2,26,33)(H,27,28)/t16-,18-/m1/s1.
What are the key properties of 7-[1-[(1R,2R)-2-fluorocyclohexyl]benzimidazol-5-yl]-5-[2-hydroxyethyl(methyl)amino]-3H-benzimidazole-4-carboxamide?
7-[1-[(1R,2R)-2-fluorocyclohexyl]benzimidazol-5-yl]-5-[2-hydroxyethyl(methyl)amino]-3H-benzimidazole-4-carboxamide has a molecular weight of 450.52 g/mol, XLogP of 3.56, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[(1R,2R)-2-fluorocyclohexyl]benzimidazol-5-yl]-5-[2-hydroxyethyl(methyl)amino]-3H-benzimidazole-4-carboxamide is sourced from PubChem (CID 126480992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).