N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide

C19H22N4O — CID 16966506

IUPACN-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide
SMILESCC(C)CCn1c(CNC(=O)c2ccccn2)nc2ccccc21
InChIInChI=1S/C19H22N4O/c1-14(2)10-12-23-17-9-4-3-7-15(17)22-18(23)13-21-19(24)16-8-5-6-11-20-16/h3-9,11,14H,10,12-13H2,1-2H3,(H,21,24)
InChIKeySWUISUGEVHJGOT-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.41
Rot. Bonds6

About N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide

N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide (PubChem CID 16966506) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide
PubChem CID16966506
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide
SMILESCC(C)CCn1c(CNC(=O)c2ccccn2)nc2ccccc21
InChIInChI=1S/C19H22N4O/c1-14(2)10-12-23-17-9-4-3-7-15(17)22-18(23)13-21-19(24)16-8-5-6-11-20-16/h3-9,11,14H,10,12-13H2,1-2H3,(H,21,24)
InChIKeySWUISUGEVHJGOT-UHFFFAOYSA-N
XLogP3.41
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966551
N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966556
N-[[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966547
N-[[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966576
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966543
N-[[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966571
N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]furan-2-carboxamide
CID 16619678
N-[[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966597
N-[[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966639
N-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 16966463
N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970595
(Z)-N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970757

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide (CID 16966506) is N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide is CC(C)CCn1c(CNC(=O)c2ccccn2)nc2ccccc21.
What is the InChIKey of N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide?
The InChIKey is SWUISUGEVHJGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-14(2)10-12-23-17-9-4-3-7-15(17)22-18(23)13-21-19(24)16-8-5-6-11-20-16/h3-9,11,14H,10,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide?
N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 16966506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).