N-(1H-benzimidazol-2-ylmethyl)-2-(3,5-dimethylpyrazol-1-yl)benzamide

C20H19N5O — CID 21008755

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccccc2C(=O)NCc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C20H19N5O/c1-13-11-14(2)25(24-13)18-10-6-3-7-15(18)20(26)21-12-19-22-16-8-4-5-9-17(16)23-19/h3-11H,12H2,1-2H3,(H,21,26)(H,22,23)
InChIKeySBOPWBXVTBVNJW-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.30
Rot. Bonds4

About N-(1H-benzimidazol-2-ylmethyl)-2-(3,5-dimethylpyrazol-1-yl)benzamide

N-(1H-benzimidazol-2-ylmethyl)-2-(3,5-dimethylpyrazol-1-yl)benzamide (PubChem CID 21008755) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-(3,5-dimethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-(3,5-dimethylpyrazol-1-yl)benzamide
PubChem CID21008755
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccccc2C(=O)NCc2nc3ccccc3[nH]2)n1
InChIInChI=1S/C20H19N5O/c1-13-11-14(2)25(24-13)18-10-6-3-7-15(18)20(26)21-12-19-22-16-8-4-5-9-17(16)23-19/h3-11H,12H2,1-2H3,(H,21,26)(H,22,23)
InChIKeySBOPWBXVTBVNJW-UHFFFAOYSA-N
XLogP3.30
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl N-(1H-benzimidazol-2-ylmethyl)carbamate
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N-(1H-benzimidazol-2-ylmethyl)-2-methyl-1-oxoisoquinoline-4-carboxamide
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CID 52693788

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-(3,5-dimethylpyrazol-1-yl)benzamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-(3,5-dimethylpyrazol-1-yl)benzamide (CID 21008755) is N-(1H-benzimidazol-2-ylmethyl)-2-(3,5-dimethylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-(3,5-dimethylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-(3,5-dimethylpyrazol-1-yl)benzamide is Cc1cc(C)n(-c2ccccc2C(=O)NCc2nc3ccccc3[nH]2)n1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-(3,5-dimethylpyrazol-1-yl)benzamide?
The InChIKey is SBOPWBXVTBVNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-13-11-14(2)25(24-13)18-10-6-3-7-15(18)20(26)21-12-19-22-16-8-4-5-9-17(16)23-19/h3-11H,12H2,1-2H3,(H,21,26)(H,22,23).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-(3,5-dimethylpyrazol-1-yl)benzamide?
N-(1H-benzimidazol-2-ylmethyl)-2-(3,5-dimethylpyrazol-1-yl)benzamide has a molecular weight of 345.41 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-(3,5-dimethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 21008755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).