N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide

C25H22N6O — CID 86975244

IUPACN-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide
SMILESCC(c1ccc(-n2cnc3ccccc32)cc1)N(C)C(=O)c1cc(-n2cccn2)ccn1
InChIInChI=1S/C25H22N6O/c1-18(29(2)25(32)23-16-21(12-14-26-23)31-15-5-13-28-31)19-8-10-20(11-9-19)30-17-27-22-6-3-4-7-24(22)30/h3-18H,1-2H3
InChIKeyCFBFTRYMPAQLFJ-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.44
Rot. Bonds5

About N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide

N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide (PubChem CID 86975244) has the molecular formula C25H22N6O and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide
PubChem CID86975244
Molecular FormulaC25H22N6O
Molecular Weight422.49 g/mol
Exact Mass422.19
IUPAC NameN-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide
SMILESCC(c1ccc(-n2cnc3ccccc32)cc1)N(C)C(=O)c1cc(-n2cccn2)ccn1
InChIInChI=1S/C25H22N6O/c1-18(29(2)25(32)23-16-21(12-14-26-23)31-15-5-13-28-31)19-8-10-20(11-9-19)30-17-27-22-6-3-4-7-24(22)30/h3-18H,1-2H3
InChIKeyCFBFTRYMPAQLFJ-UHFFFAOYSA-N
XLogP4.44
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 86916477
N-[(1R)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-2-fluoro-N-methylbenzamide
CID 42263428
N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methylpyrimidin-2-amine
CID 55570520
N-(1-aminopropan-2-yl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide
CID 119581651
N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
CID 86916473
N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 86887747
1-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-3-(2-methoxyphenyl)-1-methylurea
CID 24612469
(1S)-1-[4-(benzimidazol-1-yl)phenyl]ethanamine
CID 25324450
(2S)-2-amino-2-[4-(benzimidazol-1-yl)phenyl]acetic acid
CID 66513444
(1R)-1-[4-(benzimidazol-1-yl)phenyl]-N-methylethanamine
CID 25323496
N-[(1S)-1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 40795865
N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrazine-2-carboxamide
CID 51201655

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide?
The IUPAC name of N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide (CID 86975244) is N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide is CC(c1ccc(-n2cnc3ccccc32)cc1)N(C)C(=O)c1cc(-n2cccn2)ccn1.
What is the InChIKey of N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide?
The InChIKey is CFBFTRYMPAQLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O/c1-18(29(2)25(32)23-16-21(12-14-26-23)31-15-5-13-28-31)19-8-10-20(11-9-19)30-17-27-22-6-3-4-7-24(22)30/h3-18H,1-2H3.
What are the key properties of N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide?
N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(benzimidazol-1-yl)phenyl]ethyl]-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 86975244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).