N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-phenyl-1H-pyrrole-3-carboxamide

C23H20N6O3 — CID 136509953

IUPACN-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-phenyl-1H-pyrrole-3-carboxamide
SMILESCOc1cc2nc(-c3[nH]ncc3NC(=O)c3c[nH]cc3-c3ccccc3)[nH]c2cc1OC
InChIInChI=1S/C23H20N6O3/c1-31-19-8-16-17(9-20(19)32-2)27-22(26-16)21-18(12-25-29-21)28-23(30)15-11-24-10-14(15)13-6-4-3-5-7-13/h3-12,24H,1-2H3,(H,25,29)(H,26,27)(H,28,30)
InChIKeyVNYGDRMMEQQVES-UHFFFAOYSA-N
MW428.45 g/mol
LogP4.22
Rot. Bonds6

About N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-phenyl-1H-pyrrole-3-carboxamide

N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-phenyl-1H-pyrrole-3-carboxamide (PubChem CID 136509953) has the molecular formula C23H20N6O3 and a molecular weight of 428.45 g/mol. Its IUPAC name is N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-phenyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-phenyl-1H-pyrrole-3-carboxamide
PubChem CID136509953
Molecular FormulaC23H20N6O3
Molecular Weight428.45 g/mol
Exact Mass428.16
IUPAC NameN-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-phenyl-1H-pyrrole-3-carboxamide
SMILESCOc1cc2nc(-c3[nH]ncc3NC(=O)c3c[nH]cc3-c3ccccc3)[nH]c2cc1OC
InChIInChI=1S/C23H20N6O3/c1-31-19-8-16-17(9-20(19)32-2)27-22(26-16)21-18(12-25-29-21)28-23(30)15-11-24-10-14(15)13-6-4-3-5-7-13/h3-12,24H,1-2H3,(H,25,29)(H,26,27)(H,28,30)
InChIKeyVNYGDRMMEQQVES-UHFFFAOYSA-N
XLogP4.22
TPSA120.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 54.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylbenzamide
CID 135804549
N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide
CID 136608966
5-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxybenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-methylbenzamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methyl-1,3-benzoxazole-7-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 159523026
5-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-4-carboxamide
CID 17411393
2-methoxy-N-(5-pyridin-2-yl-1H-pyrazol-4-yl)benzamide
CID 146124376
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methoxybenzamide;hydrochloride
CID 146052811
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-5-chloro-2-methoxybenzamide
CID 46502807
2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-pyrrolidin-1-ylsulfanylbenzamide
CID 136501304
N-[3-(1H-benzimidazol-2-yl)phenyl]-2,4,5-trimethoxybenzamide
CID 51109807
2-(1H-indol-3-yl)-5,6-dimethoxy-1H-benzimidazole
CID 136822308
2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole
CID 153404282
N-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-4-methoxy-1H-indole-2-carboxamide
CID 154876346

Frequently Asked Questions

What is the IUPAC name of N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-phenyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-phenyl-1H-pyrrole-3-carboxamide (CID 136509953) is N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-phenyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-phenyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-phenyl-1H-pyrrole-3-carboxamide is COc1cc2nc(-c3[nH]ncc3NC(=O)c3c[nH]cc3-c3ccccc3)[nH]c2cc1OC.
What is the InChIKey of N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-phenyl-1H-pyrrole-3-carboxamide?
The InChIKey is VNYGDRMMEQQVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O3/c1-31-19-8-16-17(9-20(19)32-2)27-22(26-16)21-18(12-25-29-21)28-23(30)15-11-24-10-14(15)13-6-4-3-5-7-13/h3-12,24H,1-2H3,(H,25,29)(H,26,27)(H,28,30).
What are the key properties of N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-phenyl-1H-pyrrole-3-carboxamide?
N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-phenyl-1H-pyrrole-3-carboxamide has a molecular weight of 428.45 g/mol, XLogP of 4.22, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-phenyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 136509953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).