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

C20H18N6O2 — CID 165415036

IUPACN-methyl-6-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-2-phenyl-3H-benzimidazole-5-carboxamide
SMILESCNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1cc(C)[nH]n1
InChIInChI=1S/C20H18N6O2/c1-11-8-17(26-25-11)20(28)24-14-10-16-15(9-13(14)19(27)21-2)22-18(23-16)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,21,27)(H,22,23)(H,24,28)(H,25,26)
InChIKeyHUKHBDIEFVLSCT-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.87
Rot. Bonds4

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

N-methyl-6-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-2-phenyl-3H-benzimidazole-5-carboxamide (PubChem CID 165415036) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-methyl-6-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-2-phenyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-2-phenyl-3H-benzimidazole-5-carboxamide
PubChem CID165415036
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC NameN-methyl-6-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-2-phenyl-3H-benzimidazole-5-carboxamide
SMILESCNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1cc(C)[nH]n1
InChIInChI=1S/C20H18N6O2/c1-11-8-17(26-25-11)20(28)24-14-10-16-15(9-13(14)19(27)21-2)22-18(23-16)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,21,27)(H,22,23)(H,24,28)(H,25,26)
InChIKeyHUKHBDIEFVLSCT-UHFFFAOYSA-N
XLogP2.87
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-methyl-6-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-2-phenyl-3H-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

Related Compounds

Pf-05175157
CID 52934180
N-(3-(1H-Benzimidazol-2-yl)-1H-pyrazol-4-yl)benzamide
CID 135566361
6-amino-2-methyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
CID 135566422
SGC-iMLLT
CID 134820948
N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide
CID 56964111
5-ethyl-7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-1H,5H,6H,7H-imidazo[4,5-f]indol-6-one
CID 135502940
7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-1H,5H,6H,7H-imidazo[4,5-f]indol-6-one
CID 135525654
4-Amino-3-{6-[(4-methylpiperazinyl)carbonyl]benzimidazol-2-yl}hydroquinolin-2-one
CID 135674144
{4-Amino-3-[6-(4-methylpiperazinyl)benzimidazol-2-yl]-2-oxo(6-hydroquinolyl)}-N-benzylcarboxamide
CID 135926090
2-[(2S)-5-oxopyrrolidin-2-yl]-1H-1,3-benzodiazole-4-carboxamide
CID 25190739
2-(Methylamino)-1,7-Dihydro-8h-Imidazo[4,5-G]quinazolin-8-One
CID 135566565
6-Amino-2-(Methylamino)-3,7-Dihydro-8h-Imidazo[4,5-G]quinazolin-8-One
CID 135566919

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-2-phenyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-methyl-6-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-2-phenyl-3H-benzimidazole-5-carboxamide (CID 165415036) is N-methyl-6-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-2-phenyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-methyl-6-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-2-phenyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-methyl-6-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-2-phenyl-3H-benzimidazole-5-carboxamide is CNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1cc(C)[nH]n1.
What is the InChIKey of N-methyl-6-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-2-phenyl-3H-benzimidazole-5-carboxamide?
The InChIKey is HUKHBDIEFVLSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-11-8-17(26-25-11)20(28)24-14-10-16-15(9-13(14)19(27)21-2)22-18(23-16)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,21,27)(H,22,23)(H,24,28)(H,25,26).
What are the key properties of N-methyl-6-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-2-phenyl-3H-benzimidazole-5-carboxamide?
N-methyl-6-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-2-phenyl-3H-benzimidazole-5-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 2.87, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-2-phenyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 165415036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).