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

C28H27N5O3 — CID 126726439

IUPACN-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)benzimidazole-5-carboxamide
SMILESCCn1cc(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CCO)c3c2)cn1
InChIInChI=1S/C28H27N5O3/c1-2-32-19-23(18-29-32)30-26(35)20-13-14-24-25(17-20)33(15-16-34)27(31-24)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)
InChIKeySRMQKDWXEJXKNQ-UHFFFAOYSA-N
MW481.56 g/mol
LogP3.78
Rot. Bonds8

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

N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)benzimidazole-5-carboxamide (PubChem CID 126726439) has the molecular formula C28H27N5O3 and a molecular weight of 481.56 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)benzimidazole-5-carboxamide
PubChem CID126726439
Molecular FormulaC28H27N5O3
Molecular Weight481.56 g/mol
Exact Mass481.21
IUPAC NameN-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)benzimidazole-5-carboxamide
SMILESCCn1cc(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CCO)c3c2)cn1
InChIInChI=1S/C28H27N5O3/c1-2-32-19-23(18-29-32)30-26(35)20-13-14-24-25(17-20)33(15-16-34)27(31-24)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)
InChIKeySRMQKDWXEJXKNQ-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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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)benzimidazole-5-carboxamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)benzimidazole-5-carboxamide (CID 126726439) is N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)benzimidazole-5-carboxamide is CCn1cc(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CCO)c3c2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)benzimidazole-5-carboxamide?
The InChIKey is SRMQKDWXEJXKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O3/c1-2-32-19-23(18-29-32)30-26(35)20-13-14-24-25(17-20)33(15-16-34)27(31-24)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 N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)benzimidazole-5-carboxamide?
N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)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 N-(1-ethylpyrazol-4-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 126726439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).