2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)-N-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide

C26H27N3O4 — CID 118515914

IUPAC2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)-N-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide
SMILESC[C@@H](O)CNC(=O)c1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(CCO)c2c1
InChIInChI=1S/C26H27N3O4/c1-18(31)17-27-24(32)19-12-13-22-23(16-19)29(14-15-30)25(28-22)26(33,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,16,18,30-31,33H,14-15,17H2,1H3,(H,27,32)/t18-/m1/s1
InChIKeyUJXNXYAPCCFTSF-GOSISDBHSA-N
MW445.52 g/mol
LogP2.42
Rot. Bonds8

About 2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)-N-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide

2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)-N-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide (PubChem CID 118515914) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is 2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)-N-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)-N-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide
PubChem CID118515914
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)-N-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide
SMILESC[C@@H](O)CNC(=O)c1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(CCO)c2c1
InChIInChI=1S/C26H27N3O4/c1-18(31)17-27-24(32)19-12-13-22-23(16-19)29(14-15-30)25(28-22)26(33,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,16,18,30-31,33H,14-15,17H2,1H3,(H,27,32)/t18-/m1/s1
InChIKeyUJXNXYAPCCFTSF-GOSISDBHSA-N
XLogP2.42
TPSA107.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 52.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-(Benzoylamino)-1-(3-phenylpropyl)-1H-benzimidazole-5-carboxylic acid
CID 73755260
N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 10114595
4-[Ethyl-[4-(3-methylbenzimidazole-5-carbonyl)piperidine-1-carbonyl]amino]benzoic acid
CID 146627023
2-(3,5-dimethyl-4-oxidanyl-phenyl)-1-[(1-ethanoylpiperidin-4-yl)methyl]-~{N}-methyl-benzimidazole-5-carboxamide
CID 145946097
2-[(4-Propan-2-Ylphenyl)amino]-1-[(1~{s},5~{s})-3,3,5-Trimethylcyclohexyl]benzimidazole-5-Carboxylic Acid
CID 118311107
2-[4-[[4-Methyl-6-(propanoylamino)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 73347892
2-[4-[[6-(Butanoylamino)-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 73353934
4-[(1-Benzyl-1H-benzoimidazol-2-ylmethyl)-amino]-benzoic acid
CID 1097871
3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}-phenyl-amino)-propionic acid
CID 9890882
4''-(2-Butyl-6-methyl-benzoimidazol-1-ylmethyl)-biphenyl-2-carboxylic acid
CID 10250278
4-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}-phenyl-amino)-butyric acid
CID 10983726
2-[4-(Hydroxymethyl)phenyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
CID 10990023

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)-N-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide?
The IUPAC name of 2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)-N-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide (CID 118515914) is 2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)-N-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)-N-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide?
The canonical SMILES for 2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)-N-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide is C[C@@H](O)CNC(=O)c1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(CCO)c2c1.
What is the InChIKey of 2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)-N-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide?
The InChIKey is UJXNXYAPCCFTSF-GOSISDBHSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-18(31)17-27-24(32)19-12-13-22-23(16-19)29(14-15-30)25(28-22)26(33,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,16,18,30-31,33H,14-15,17H2,1H3,(H,27,32)/t18-/m1/s1.
What are the key properties of 2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)-N-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide?
2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)-N-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 2.42, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)-N-[(2R)-2-hydroxypropyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 118515914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).