N-methyl-6-[(1-methylpyrazole-3-carbonyl)amino]-2-phenyl-3H-benzimidazole-5-carboxamide

C20H18N6O2 — CID 165415080

IUPACN-methyl-6-[(1-methylpyrazole-3-carbonyl)amino]-2-phenyl-3H-benzimidazole-5-carboxamide
SMILESCNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1ccn(C)n1
InChIInChI=1S/C20H18N6O2/c1-21-19(27)13-10-16-17(23-18(22-16)12-6-4-3-5-7-12)11-15(13)24-20(28)14-8-9-26(2)25-14/h3-11H,1-2H3,(H,21,27)(H,22,23)(H,24,28)
InChIKeyVSYPRZWUGRVOKN-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.58
Rot. Bonds4

About N-methyl-6-[(1-methylpyrazole-3-carbonyl)amino]-2-phenyl-3H-benzimidazole-5-carboxamide

N-methyl-6-[(1-methylpyrazole-3-carbonyl)amino]-2-phenyl-3H-benzimidazole-5-carboxamide (PubChem CID 165415080) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-methyl-6-[(1-methylpyrazole-3-carbonyl)amino]-2-phenyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[(1-methylpyrazole-3-carbonyl)amino]-2-phenyl-3H-benzimidazole-5-carboxamide
PubChem CID165415080
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC NameN-methyl-6-[(1-methylpyrazole-3-carbonyl)amino]-2-phenyl-3H-benzimidazole-5-carboxamide
SMILESCNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1ccn(C)n1
InChIInChI=1S/C20H18N6O2/c1-21-19(27)13-10-16-17(23-18(22-16)12-6-4-3-5-7-12)11-15(13)24-20(28)14-8-9-26(2)25-14/h3-11H,1-2H3,(H,21,27)(H,22,23)(H,24,28)
InChIKeyVSYPRZWUGRVOKN-UHFFFAOYSA-N
XLogP2.58
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(1-methylpyrazole-3-carbonyl)amino]-2-phenyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-methyl-6-[(1-methylpyrazole-3-carbonyl)amino]-2-phenyl-3H-benzimidazole-5-carboxamide (CID 165415080) is N-methyl-6-[(1-methylpyrazole-3-carbonyl)amino]-2-phenyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-methyl-6-[(1-methylpyrazole-3-carbonyl)amino]-2-phenyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-methyl-6-[(1-methylpyrazole-3-carbonyl)amino]-2-phenyl-3H-benzimidazole-5-carboxamide is CNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1ccn(C)n1.
What is the InChIKey of N-methyl-6-[(1-methylpyrazole-3-carbonyl)amino]-2-phenyl-3H-benzimidazole-5-carboxamide?
The InChIKey is VSYPRZWUGRVOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-21-19(27)13-10-16-17(23-18(22-16)12-6-4-3-5-7-12)11-15(13)24-20(28)14-8-9-26(2)25-14/h3-11H,1-2H3,(H,21,27)(H,22,23)(H,24,28).
What are the key properties of N-methyl-6-[(1-methylpyrazole-3-carbonyl)amino]-2-phenyl-3H-benzimidazole-5-carboxamide?
N-methyl-6-[(1-methylpyrazole-3-carbonyl)amino]-2-phenyl-3H-benzimidazole-5-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(1-methylpyrazole-3-carbonyl)amino]-2-phenyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 165415080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).