N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-4-methylbenzamide

C18H14ClN5O — CID 164954521

IUPACN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc1Cl
InChIInChI=1S/C18H14ClN5O/c1-10-6-7-11(8-12(10)19)18(25)22-16-9-15(23-24-16)17-20-13-4-2-3-5-14(13)21-17/h2-9H,1H3,(H,20,21)(H2,22,23,24,25)
InChIKeyAZNBANKYXHXJBF-UHFFFAOYSA-N
MW351.80 g/mol
LogP4.17
Rot. Bonds3

About N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-4-methylbenzamide

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-4-methylbenzamide (PubChem CID 164954521) has the molecular formula C18H14ClN5O and a molecular weight of 351.80 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-4-methylbenzamide
PubChem CID164954521
Molecular FormulaC18H14ClN5O
Molecular Weight351.80 g/mol
Exact Mass351.09
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc1Cl
InChIInChI=1S/C18H14ClN5O/c1-10-6-7-11(8-12(10)19)18(25)22-16-9-15(23-24-16)17-20-13-4-2-3-5-14(13)21-17/h2-9H,1H3,(H,20,21)(H2,22,23,24,25)
InChIKeyAZNBANKYXHXJBF-UHFFFAOYSA-N
XLogP4.17
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.80
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-4-(2-methoxyethylamino)benzamide
CID 163227858
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-(dimethylamino)benzamide
CID 155701119
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide
CID 155161491
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 163228456
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-[(3R)-3-hydroxypyrrolidin-1-yl]benzamide
CID 163228324
3-chloro-N-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-methoxybenzamide
CID 155161295
N-[[3-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]-3-chloro-4-methylbenzamide
CID 22777518
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 163228194
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 163227860
6-chloro-N-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 163227921
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 163228294
2-(2,3-dichlorophenyl)-N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide
CID 135750659

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-4-methylbenzamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-4-methylbenzamide (CID 164954521) is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-4-methylbenzamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-4-methylbenzamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)[nH]n2)cc1Cl.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-4-methylbenzamide?
The InChIKey is AZNBANKYXHXJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O/c1-10-6-7-11(8-12(10)19)18(25)22-16-9-15(23-24-16)17-20-13-4-2-3-5-14(13)21-17/h2-9H,1H3,(H,20,21)(H2,22,23,24,25).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-4-methylbenzamide?
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-4-methylbenzamide has a molecular weight of 351.80 g/mol, XLogP of 4.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-4-methylbenzamide is sourced from PubChem (CID 164954521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).