N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylbenzamide

C20H19N5O — CID 135804549

IUPACN-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cn[nH]c2-c2nc3cc(C)c(C)cc3[nH]2)cc1
InChIInChI=1S/C20H19N5O/c1-11-4-6-14(7-5-11)20(26)24-17-10-21-25-18(17)19-22-15-8-12(2)13(3)9-16(15)23-19/h4-10H,1-3H3,(H,21,25)(H,22,23)(H,24,26)
InChIKeyLKUWUBGOCFYPLO-UHFFFAOYSA-N
MW345.41 g/mol
LogP4.13
Rot. Bonds3

About N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylbenzamide

N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylbenzamide (PubChem CID 135804549) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylbenzamide
PubChem CID135804549
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cn[nH]c2-c2nc3cc(C)c(C)cc3[nH]2)cc1
InChIInChI=1S/C20H19N5O/c1-11-4-6-14(7-5-11)20(26)24-17-10-21-25-18(17)19-22-15-8-12(2)13(3)9-16(15)23-19/h4-10H,1-3H3,(H,21,25)(H,22,23)(H,24,26)
InChIKeyLKUWUBGOCFYPLO-UHFFFAOYSA-N
XLogP4.13
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide
CID 136608966
N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-piperidin-1-ylacetamide
CID 135804579
N-(2,3-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578809
N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-phenyl-1H-pyrrole-3-carboxamide
CID 136509953
N-(3,4-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578851
N-(3,5-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578861
N-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methylthiophene-2-carboxamide
CID 135501849
N-(1H-indazol-5-yl)-4-methylbenzamide
CID 17163732
2-(4-methylphenoxy)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 136508885
N-[5-(1,5,6-trimethylbenzimidazol-2-yl)-1H-pyrazol-4-yl]furan-3-carboxamide
CID 86602651
4-methyl-N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]piperazine-1-carboxamide
CID 135750711
N-(4-bromophenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578973

Frequently Asked Questions

What is the IUPAC name of N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylbenzamide?
The IUPAC name of N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylbenzamide (CID 135804549) is N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylbenzamide?
The canonical SMILES for N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cn[nH]c2-c2nc3cc(C)c(C)cc3[nH]2)cc1.
What is the InChIKey of N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylbenzamide?
The InChIKey is LKUWUBGOCFYPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-11-4-6-14(7-5-11)20(26)24-17-10-21-25-18(17)19-22-15-8-12(2)13(3)9-16(15)23-19/h4-10H,1-3H3,(H,21,25)(H,22,23)(H,24,26).
What are the key properties of N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylbenzamide?
N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylbenzamide has a molecular weight of 345.41 g/mol, XLogP of 4.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylbenzamide is sourced from PubChem (CID 135804549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).