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

C18H14ClN5O — CID 137243508

IUPACN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-chloro-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)[nH]n2)c1Cl
InChIInChI=1S/C18H14ClN5O/c1-10-5-4-6-11(16(10)19)18(25)22-15-9-14(23-24-15)17-20-12-7-2-3-8-13(12)21-17/h2-9H,1H3,(H,20,21)(H2,22,23,24,25)
InChIKeyMZSONBOADBXTJB-UHFFFAOYSA-N
MW351.80 g/mol
LogP4.17
Rot. Bonds3

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

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-chloro-3-methylbenzamide (PubChem CID 137243508) 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]-2-chloro-3-methylbenzamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-chloro-3-methylbenzamide
PubChem CID137243508
Molecular FormulaC18H14ClN5O
Molecular Weight351.80 g/mol
Exact Mass351.09
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-chloro-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)[nH]n2)c1Cl
InChIInChI=1S/C18H14ClN5O/c1-10-5-4-6-11(16(10)19)18(25)22-15-9-14(23-24-15)17-20-12-7-2-3-8-13(12)21-17/h2-9H,1H3,(H,20,21)(H2,22,23,24,25)
InChIKeyMZSONBOADBXTJB-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-(3-(1H-Benzimidazol-2-yl)-1H-pyrazol-4-yl)benzamide
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N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 5190924
N-[(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl]-4-(aminomethyl)benzamide
CID 11518712
4-N-[(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl]benzene-1,4-dicarboxamide
CID 11547838
N-[(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl]-4-(aminomethyl)-2-fluorobenzamide
CID 11569660
(2-chlorophenyl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone
CID 53319646
N-[(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl]-4-methylbenzamide
CID 66674328
N-(2-(1h-indazol-3-yl)-1h-pyrrolo[3,2-b]pyridin-5-yl)-4-chloro-N-methylbenzamide
CID 135870699
N-[1-(1H-benzimidazol-2-yl)-3-methyl-1H-pyrazol-5-yl]-2-fluorobenzamide
CID 666262
N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]cyclohexanecarboxamide
CID 4004019
N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,4-difluorobenzamide
CID 5042148
N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,6-difluorobenzamide
CID 5111904

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-chloro-3-methylbenzamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-chloro-3-methylbenzamide (CID 137243508) is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-chloro-3-methylbenzamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-chloro-3-methylbenzamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-chloro-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)[nH]n2)c1Cl.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-chloro-3-methylbenzamide?
The InChIKey is MZSONBOADBXTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O/c1-10-5-4-6-11(16(10)19)18(25)22-15-9-14(23-24-15)17-20-12-7-2-3-8-13(12)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]-2-chloro-3-methylbenzamide?
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-chloro-3-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]-2-chloro-3-methylbenzamide is sourced from PubChem (CID 137243508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).