N-methyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide

C24H22N4O — CID 16966869

IUPACN-methyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
SMILESCN(Cc1nc2ccccc2n1C/C=C/c1ccccc1)C(=O)c1ccccn1
InChIInChI=1S/C24H22N4O/c1-27(24(29)21-14-7-8-16-25-21)18-23-26-20-13-5-6-15-22(20)28(23)17-9-12-19-10-3-2-4-11-19/h2-16H,17-18H2,1H3/b12-9+
InChIKeyCBWCCGOBQLEGMJ-FMIVXFBMSA-N
MW382.47 g/mol
LogP4.42
Rot. Bonds6

About N-methyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide

N-methyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide (PubChem CID 16966869) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is N-methyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
PubChem CID16966869
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC NameN-methyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
SMILESCN(Cc1nc2ccccc2n1C/C=C/c1ccccc1)C(=O)c1ccccn1
InChIInChI=1S/C24H22N4O/c1-27(24(29)21-14-7-8-16-25-21)18-23-26-20-13-5-6-15-22(20)28(23)17-9-12-19-10-3-2-4-11-19/h2-16H,17-18H2,1H3/b12-9+
InChIKeyCBWCCGOBQLEGMJ-FMIVXFBMSA-N
XLogP4.42
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966866
N-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 16966831
N-methyl-N-[[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966959
N-methyl-N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 16966840
N-methyl-N-[[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966843
N-[[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide
CID 16966944
N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide
CID 16966849
N-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966877
2-ethyl-N-[2-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974740
(Z)-3-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]prop-2-enamide
CID 16970796
N-[3-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]propyl]propanamide
CID 16980700
2-benzyl-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 16995564

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide (CID 16966869) is N-methyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide is CN(Cc1nc2ccccc2n1C/C=C/c1ccccc1)C(=O)c1ccccn1.
What is the InChIKey of N-methyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide?
The InChIKey is CBWCCGOBQLEGMJ-FMIVXFBMSA-N. The full InChI is InChI=1S/C24H22N4O/c1-27(24(29)21-14-7-8-16-25-21)18-23-26-20-13-5-6-15-22(20)28(23)17-9-12-19-10-3-2-4-11-19/h2-16H,17-18H2,1H3/b12-9+.
What are the key properties of N-methyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide?
N-methyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 16966869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).