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

C29H29N5O3 — CID 118515915

IUPACN-(1-ethylpyrazol-3-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide
SMILESCCn1ccc(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CCOC)c3c2)n1
InChIInChI=1S/C29H29N5O3/c1-3-33-17-16-26(32-33)31-27(35)21-14-15-24-25(20-21)34(18-19-37-2)28(30-24)29(36,22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-17,20,36H,3,18-19H2,1-2H3,(H,31,32,35)
InChIKeySMQUOPXEIOUYLA-UHFFFAOYSA-N
MW495.58 g/mol
LogP4.44
Rot. Bonds9

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

N-(1-ethylpyrazol-3-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide (PubChem CID 118515915) has the molecular formula C29H29N5O3 and a molecular weight of 495.58 g/mol. Its IUPAC name is N-(1-ethylpyrazol-3-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-3-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide
PubChem CID118515915
Molecular FormulaC29H29N5O3
Molecular Weight495.58 g/mol
Exact Mass495.23
IUPAC NameN-(1-ethylpyrazol-3-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide
SMILESCCn1ccc(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CCOC)c3c2)n1
InChIInChI=1S/C29H29N5O3/c1-3-33-17-16-26(32-33)31-27(35)21-14-15-24-25(20-21)34(18-19-37-2)28(30-24)29(36,22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-17,20,36H,3,18-19H2,1-2H3,(H,31,32,35)
InChIKeySMQUOPXEIOUYLA-UHFFFAOYSA-N
XLogP4.44
TPSA94.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-3-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide?
The IUPAC name of N-(1-ethylpyrazol-3-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide (CID 118515915) is N-(1-ethylpyrazol-3-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-(1-ethylpyrazol-3-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-(1-ethylpyrazol-3-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide is CCn1ccc(NC(=O)c2ccc3nc(C(O)(c4ccccc4)c4ccccc4)n(CCOC)c3c2)n1.
What is the InChIKey of N-(1-ethylpyrazol-3-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide?
The InChIKey is SMQUOPXEIOUYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O3/c1-3-33-17-16-26(32-33)31-27(35)21-14-15-24-25(20-21)34(18-19-37-2)28(30-24)29(36,22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-17,20,36H,3,18-19H2,1-2H3,(H,31,32,35).
What are the key properties of N-(1-ethylpyrazol-3-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide?
N-(1-ethylpyrazol-3-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide has a molecular weight of 495.58 g/mol, XLogP of 4.44, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-3-yl)-2-[hydroxy(diphenyl)methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 118515915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).