N-[2-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide

C18H16N6O — CID 110204460

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)c1cc(-c2ccccn2)n[nH]1
InChIInChI=1S/C18H16N6O/c25-18(16-11-15(23-24-16)12-5-3-4-9-19-12)20-10-8-17-21-13-6-1-2-7-14(13)22-17/h1-7,9,11H,8,10H2,(H,20,25)(H,21,22)(H,23,24)
InChIKeyCHDMEHBZPLPLKJ-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.32
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 110204460) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
PubChem CID110204460
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)c1cc(-c2ccccn2)n[nH]1
InChIInChI=1S/C18H16N6O/c25-18(16-11-15(23-24-16)12-5-3-4-9-19-12)20-10-8-17-21-13-6-1-2-7-14(13)22-17/h1-7,9,11H,8,10H2,(H,20,25)(H,21,22)(H,23,24)
InChIKeyCHDMEHBZPLPLKJ-UHFFFAOYSA-N
XLogP2.32
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)propyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
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N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
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N-[2-(1H-benzimidazol-2-yl)ethyl]-4-bromo-1H-pyrrole-2-carboxamide
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N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridine-4-carboxamide
CID 103607169
N-[2-(1H-benzimidazol-2-yl)ethyl]quinoline-4-carboxamide
CID 59018404
N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 118986188
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71827980
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 60550987
N-benzyl-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46352032
N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 30209564
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxybenzamide
CID 2066664

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide (CID 110204460) is N-[2-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide is O=C(NCCc1nc2ccccc2[nH]1)c1cc(-c2ccccn2)n[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is CHDMEHBZPLPLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c25-18(16-11-15(23-24-16)12-5-3-4-9-19-12)20-10-8-17-21-13-6-1-2-7-14(13)22-17/h1-7,9,11H,8,10H2,(H,20,25)(H,21,22)(H,23,24).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 332.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 110204460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).