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

C18H20N4O — CID 16963912

IUPACN-[(1-butylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
SMILESCCCCn1c(CNC(=O)c2cccnc2)nc2ccccc21
InChIInChI=1S/C18H20N4O/c1-2-3-11-22-16-9-5-4-8-15(16)21-17(22)13-20-18(23)14-7-6-10-19-12-14/h4-10,12H,2-3,11,13H2,1H3,(H,20,23)
InChIKeyCIBUQYIWVZCPPY-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.16
Rot. Bonds6

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

N-[(1-butylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 16963912) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(1-butylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-butylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
PubChem CID16963912
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC NameN-[(1-butylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
SMILESCCCCn1c(CNC(=O)c2cccnc2)nc2ccccc21
InChIInChI=1S/C18H20N4O/c1-2-3-11-22-16-9-5-4-8-15(16)21-17(22)13-20-18(23)14-7-6-10-19-12-14/h4-10,12H,2-3,11,13H2,1H3,(H,20,23)
InChIKeyCIBUQYIWVZCPPY-UHFFFAOYSA-N
XLogP3.16
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hexadecylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963923
N-[(1-decylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963920
N-[(1-undecylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963921
N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide
CID 16965544
N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16963981
N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16964027
N-[[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16963959
N-[[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16964061
4-methyl-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide
CID 17007109
4-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]benzamide
CID 17007112
propan-2-yl 2-[2-[(pyridine-3-carbonylamino)methyl]benzimidazol-1-yl]acetate
CID 16964057
N-[(1-butylbenzimidazol-2-yl)methyl]-2-ethylbutanamide
CID 17006351

Frequently Asked Questions

What is the IUPAC name of N-[(1-butylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(1-butylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide (CID 16963912) is N-[(1-butylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-butylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(1-butylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide is CCCCn1c(CNC(=O)c2cccnc2)nc2ccccc21.
What is the InChIKey of N-[(1-butylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is CIBUQYIWVZCPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-2-3-11-22-16-9-5-4-8-15(16)21-17(22)13-20-18(23)14-7-6-10-19-12-14/h4-10,12H,2-3,11,13H2,1H3,(H,20,23).
What are the key properties of N-[(1-butylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide?
N-[(1-butylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 16963912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).