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

C18H14ClN5O — CID 137243509

IUPACN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)Nc1cc(-c2nc3ccccc3[nH]2)[nH]n1
InChIInChI=1S/C18H14ClN5O/c1-10-11(5-4-6-12(10)19)18(25)22-16-9-15(23-24-16)17-20-13-7-2-3-8-14(13)21-17/h2-9H,1H3,(H,20,21)(H2,22,23,24,25)
InChIKeyOSGMULIPPPBILX-UHFFFAOYSA-N
MW351.80 g/mol
LogP4.17
Rot. Bonds3

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

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-2-methylbenzamide (PubChem CID 137243509) 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-2-methylbenzamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-2-methylbenzamide
PubChem CID137243509
Molecular FormulaC18H14ClN5O
Molecular Weight351.80 g/mol
Exact Mass351.09
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)Nc1cc(-c2nc3ccccc3[nH]2)[nH]n1
InChIInChI=1S/C18H14ClN5O/c1-10-11(5-4-6-12(10)19)18(25)22-16-9-15(23-24-16)17-20-13-7-2-3-8-14(13)21-17/h2-9H,1H3,(H,20,21)(H2,22,23,24,25)
InChIKeyOSGMULIPPPBILX-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

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1-(1H-benzimidazol-2-yl)-4-(3-chlorobenzyl)-3-methyl-1H-pyrazol-5-ol
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N-[1-(1H-benzimidazol-2-yl)-3-methyl-1H-pyrazol-5-yl]-2-fluorobenzamide
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N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,4-difluorobenzamide
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N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,6-difluorobenzamide
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(E)-N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-(3-chlorophenyl)prop-2-enamide
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N-[(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl]-2-fluoro-4-methylbenzamide
CID 118727596
N-[(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl]-5-chloro-2-fluorobenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-2-methylbenzamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-2-methylbenzamide (CID 137243509) is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-2-methylbenzamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-2-methylbenzamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-2-methylbenzamide is Cc1c(Cl)cccc1C(=O)Nc1cc(-c2nc3ccccc3[nH]2)[nH]n1.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-2-methylbenzamide?
The InChIKey is OSGMULIPPPBILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O/c1-10-11(5-4-6-12(10)19)18(25)22-16-9-15(23-24-16)17-20-13-7-2-3-8-14(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-2-methylbenzamide?
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-2-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-2-methylbenzamide is sourced from PubChem (CID 137243509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).