N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide

C19H22N4O — CID 16965365

IUPACN-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
SMILESCC(C)Cn1c(C(C)NC(=O)c2ccncc2)nc2ccccc21
InChIInChI=1S/C19H22N4O/c1-13(2)12-23-17-7-5-4-6-16(17)22-18(23)14(3)21-19(24)15-8-10-20-11-9-15/h4-11,13-14H,12H2,1-3H3,(H,21,24)
InChIKeyREDHBRHVJJHLSO-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.58
Rot. Bonds5

About N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide

N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide (PubChem CID 16965365) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
PubChem CID16965365
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
SMILESCC(C)Cn1c(C(C)NC(=O)c2ccncc2)nc2ccccc21
InChIInChI=1S/C19H22N4O/c1-13(2)12-23-17-7-5-4-6-16(17)22-18(23)14(3)21-19(24)15-8-10-20-11-9-15/h4-11,13-14H,12H2,1-3H3,(H,21,24)
InChIKeyREDHBRHVJJHLSO-UHFFFAOYSA-N
XLogP3.58
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 5400747
N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965517
4-methoxy-N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 17009618
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965375
N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965407
N-[1-(1-nonylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965377
ethyl 2-[2-[1-(pyridine-4-carbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16965514
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide
CID 751204
N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965467
N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16969940
N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965437
N-[1-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965496

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide (CID 16965365) is N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide is CC(C)Cn1c(C(C)NC(=O)c2ccncc2)nc2ccccc21.
What is the InChIKey of N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide?
The InChIKey is REDHBRHVJJHLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13(2)12-23-17-7-5-4-6-16(17)22-18(23)14(3)21-19(24)15-8-10-20-11-9-15/h4-11,13-14H,12H2,1-3H3,(H,21,24).
What are the key properties of N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide?
N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 16965365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).