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

C27H25N5O3 — CID 126726431

IUPAC2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)-N-(1-methylpyrazol-4-yl)benzimidazole-5-carboxamide
SMILESCn1cc(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CCO)c3c2)cn1
InChIInChI=1S/C27H25N5O3/c1-31-18-22(17-28-31)29-25(34)19-12-13-23-24(16-19)32(14-15-33)26(30-23)27(35,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,16-18,33,35H,14-15H2,1H3,(H,29,34)
InChIKeyDXDVMFJTQLEMLJ-UHFFFAOYSA-N
MW467.53 g/mol
LogP3.30
Rot. Bonds7

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

2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)-N-(1-methylpyrazol-4-yl)benzimidazole-5-carboxamide (PubChem CID 126726431) has the molecular formula C27H25N5O3 and a molecular weight of 467.53 g/mol. Its IUPAC name is 2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)-N-(1-methylpyrazol-4-yl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)-N-(1-methylpyrazol-4-yl)benzimidazole-5-carboxamide
PubChem CID126726431
Molecular FormulaC27H25N5O3
Molecular Weight467.53 g/mol
Exact Mass467.20
IUPAC Name2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)-N-(1-methylpyrazol-4-yl)benzimidazole-5-carboxamide
SMILESCn1cc(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CCO)c3c2)cn1
InChIInChI=1S/C27H25N5O3/c1-31-18-22(17-28-31)29-25(34)19-12-13-23-24(16-19)32(14-15-33)26(30-23)27(35,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,16-18,33,35H,14-15H2,1H3,(H,29,34)
InChIKeyDXDVMFJTQLEMLJ-UHFFFAOYSA-N
XLogP3.30
TPSA105.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)-N-(1-methylpyrazol-4-yl)benzimidazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)-N-(1-methylpyrazol-4-yl)benzimidazole-5-carboxamide?
The IUPAC name of 2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)-N-(1-methylpyrazol-4-yl)benzimidazole-5-carboxamide (CID 126726431) is 2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)-N-(1-methylpyrazol-4-yl)benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)-N-(1-methylpyrazol-4-yl)benzimidazole-5-carboxamide?
The canonical SMILES for 2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)-N-(1-methylpyrazol-4-yl)benzimidazole-5-carboxamide is Cn1cc(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CCO)c3c2)cn1.
What is the InChIKey of 2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)-N-(1-methylpyrazol-4-yl)benzimidazole-5-carboxamide?
The InChIKey is DXDVMFJTQLEMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O3/c1-31-18-22(17-28-31)29-25(34)19-12-13-23-24(16-19)32(14-15-33)26(30-23)27(35,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,16-18,33,35H,14-15H2,1H3,(H,29,34).
What are the key properties of 2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)-N-(1-methylpyrazol-4-yl)benzimidazole-5-carboxamide?
2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)-N-(1-methylpyrazol-4-yl)benzimidazole-5-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 3.30, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(diphenyl)methyl]-3-(2-hydroxyethyl)-N-(1-methylpyrazol-4-yl)benzimidazole-5-carboxamide is sourced from PubChem (CID 126726431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).