3-chloro-N-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-methoxybenzamide

C18H13ClFN5O2 — CID 155161295

IUPAC3-chloro-N-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3nc4ccc(F)cc4[nH]3)[nH]n2)cc1Cl
InChIInChI=1S/C18H13ClFN5O2/c1-27-15-5-2-9(6-11(15)19)18(26)23-16-8-14(24-25-16)17-21-12-4-3-10(20)7-13(12)22-17/h2-8H,1H3,(H,21,22)(H2,23,24,25,26)
InChIKeyRPKUYSSVTAMLGV-UHFFFAOYSA-N
MW385.79 g/mol
LogP4.01
Rot. Bonds4

About 3-chloro-N-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-methoxybenzamide

3-chloro-N-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-methoxybenzamide (PubChem CID 155161295) has the molecular formula C18H13ClFN5O2 and a molecular weight of 385.79 g/mol. Its IUPAC name is 3-chloro-N-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-methoxybenzamide
PubChem CID155161295
Molecular FormulaC18H13ClFN5O2
Molecular Weight385.79 g/mol
Exact Mass385.07
IUPAC Name3-chloro-N-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(-c3nc4ccc(F)cc4[nH]3)[nH]n2)cc1Cl
InChIInChI=1S/C18H13ClFN5O2/c1-27-15-5-2-9(6-11(15)19)18(26)23-16-8-14(24-25-16)17-21-12-4-3-10(20)7-13(12)22-17/h2-8H,1H3,(H,21,22)(H2,23,24,25,26)
InChIKeyRPKUYSSVTAMLGV-UHFFFAOYSA-N
XLogP4.01
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.79
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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]-3-chloro-4-methylbenzamide
CID 164954521
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-4-(2-methoxyethylamino)benzamide
CID 163227858
2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole
CID 136929715
3-chloro-N-[3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2H-pyrrol-5-yl]-4-methoxybenzamide
CID 164966598
3-[(3-fluoro-4-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527065
3-chloro-4-methoxy-N-[3-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-2H-pyrrol-5-yl]benzamide
CID 164975208
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-(dimethylamino)benzamide
CID 155701119
4-(1H-benzimidazol-2-yl)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 100578045
N-(3-chloro-4-methoxyphenyl)-2-(5-nitrothiophen-2-yl)-3H-benzimidazole-5-carboxamide
CID 135391803
3-[(3,4-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528227
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113019095

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-methoxybenzamide?
The IUPAC name of 3-chloro-N-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-methoxybenzamide (CID 155161295) is 3-chloro-N-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-methoxybenzamide.
What is the SMILES notation for 3-chloro-N-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-methoxybenzamide?
The canonical SMILES for 3-chloro-N-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(-c3nc4ccc(F)cc4[nH]3)[nH]n2)cc1Cl.
What is the InChIKey of 3-chloro-N-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-methoxybenzamide?
The InChIKey is RPKUYSSVTAMLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN5O2/c1-27-15-5-2-9(6-11(15)19)18(26)23-16-8-14(24-25-16)17-21-12-4-3-10(20)7-13(12)22-17/h2-8H,1H3,(H,21,22)(H2,23,24,25,26).
What are the key properties of 3-chloro-N-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-methoxybenzamide?
3-chloro-N-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-methoxybenzamide has a molecular weight of 385.79 g/mol, XLogP of 4.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-(6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 155161295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).