3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxyethyl)pyrazol-4-yl]benzimidazole-5-carboxamide

C28H27N5O3 — CID 118519308

IUPAC3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxyethyl)pyrazol-4-yl]benzimidazole-5-carboxamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)Nc3cnn(CCO)c3)cc21
InChIInChI=1S/C28H27N5O3/c1-2-33-25-17-20(26(35)30-23-18-29-32(19-23)15-16-34)13-14-24(25)31-27(33)28(36,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,17-19,34,36H,2,15-16H2,1H3,(H,30,35)
InChIKeyWOAGOOCBEMIHAZ-UHFFFAOYSA-N
MW481.56 g/mol
LogP3.78
Rot. Bonds8

About 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxyethyl)pyrazol-4-yl]benzimidazole-5-carboxamide

3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxyethyl)pyrazol-4-yl]benzimidazole-5-carboxamide (PubChem CID 118519308) has the molecular formula C28H27N5O3 and a molecular weight of 481.56 g/mol. Its IUPAC name is 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxyethyl)pyrazol-4-yl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxyethyl)pyrazol-4-yl]benzimidazole-5-carboxamide
PubChem CID118519308
Molecular FormulaC28H27N5O3
Molecular Weight481.56 g/mol
Exact Mass481.21
IUPAC Name3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxyethyl)pyrazol-4-yl]benzimidazole-5-carboxamide
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)Nc3cnn(CCO)c3)cc21
InChIInChI=1S/C28H27N5O3/c1-2-33-25-17-20(26(35)30-23-18-29-32(19-23)15-16-34)13-14-24(25)31-27(33)28(36,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,17-19,34,36H,2,15-16H2,1H3,(H,30,35)
InChIKeyWOAGOOCBEMIHAZ-UHFFFAOYSA-N
XLogP3.78
TPSA105.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2S,3R)-4-(cyclohexylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-ethyl-7-(2-oxopyrrolidin-1-yl)benzimidazole-5-carboxamide
CID 44528581
(S)-2-(1-Ethyl-3-methyl-1H-pyrazole-5-carboxamido)-1-(2-hydroxy-2-phenylethyl)-1H-benzo[d]imidazole-5-carboxamide
CID 138976714
4-[1-[3-(dimethylamino)propyl]-2-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzimidazol-5-yl]benzoic acid
CID 71463556
4-[1-(3-imidazol-1-ylpropyl)-2-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzimidazol-5-yl]benzoic acid
CID 71463557
N-[(2S)-2-hydroxy-2-phenylethyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
CID 127034876
N-[(2R)-2-hydroxy-2-phenylethyl]-7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-5-carboxamide
CID 127034903
2-[4-(1-benzylpyrazol-4-yl)phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid
CID 58073798
3-hydroxy-2-(3-methylphenyl)-3-[2-(pyrimidin-2-ylamino)-3H-benzimidazol-5-yl]isoindol-1-one
CID 67044841
4-[[3-[8-[[6-(2-Methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzoyl]amino]benzoic acid
CID 71525522
(R)-1-ethyl-2-(hydroxydiphenylmethyl)-N-(2-hydroxypropyl)-1H-benzo[d]imidazole-6-carboxamide
CID 92131155
N-(2-aminoethyl)-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
CID 118515849
2-[bis(2-fluorophenyl)-hydroxymethyl]-3-ethyl-N-(1-ethylpyrazol-3-yl)benzimidazole-5-carboxamide
CID 118515851

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxyethyl)pyrazol-4-yl]benzimidazole-5-carboxamide?
The IUPAC name of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxyethyl)pyrazol-4-yl]benzimidazole-5-carboxamide (CID 118519308) is 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxyethyl)pyrazol-4-yl]benzimidazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxyethyl)pyrazol-4-yl]benzimidazole-5-carboxamide?
The canonical SMILES for 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxyethyl)pyrazol-4-yl]benzimidazole-5-carboxamide is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)Nc3cnn(CCO)c3)cc21.
What is the InChIKey of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxyethyl)pyrazol-4-yl]benzimidazole-5-carboxamide?
The InChIKey is WOAGOOCBEMIHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O3/c1-2-33-25-17-20(26(35)30-23-18-29-32(19-23)15-16-34)13-14-24(25)31-27(33)28(36,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,17-19,34,36H,2,15-16H2,1H3,(H,30,35).
What are the key properties of 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxyethyl)pyrazol-4-yl]benzimidazole-5-carboxamide?
3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxyethyl)pyrazol-4-yl]benzimidazole-5-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 3.78, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[1-(2-hydroxyethyl)pyrazol-4-yl]benzimidazole-5-carboxamide is sourced from PubChem (CID 118519308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).