N-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide

C22H19BrN4O — CID 16965721

IUPACN-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
SMILESCN(Cc1nc2ccccc2n1Cc1cccc(Br)c1)C(=O)c1ccncc1
InChIInChI=1S/C22H19BrN4O/c1-26(22(28)17-9-11-24-12-10-17)15-21-25-19-7-2-3-8-20(19)27(21)14-16-5-4-6-18(23)13-16/h2-13H,14-15H2,1H3
InChIKeyRJKBSXYOPWUUOP-UHFFFAOYSA-N
MW435.33 g/mol
LogP4.51
Rot. Bonds5

About N-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide

N-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide (PubChem CID 16965721) has the molecular formula C22H19BrN4O and a molecular weight of 435.33 g/mol. Its IUPAC name is N-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
PubChem CID16965721
Molecular FormulaC22H19BrN4O
Molecular Weight435.33 g/mol
Exact Mass434.07
IUPAC NameN-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
SMILESCN(Cc1nc2ccccc2n1Cc1cccc(Br)c1)C(=O)c1ccncc1
InChIInChI=1S/C22H19BrN4O/c1-26(22(28)17-9-11-24-12-10-17)15-21-25-19-7-2-3-8-20(19)27(21)14-16-5-4-6-18(23)13-16/h2-13H,14-15H2,1H3
InChIKeyRJKBSXYOPWUUOP-UHFFFAOYSA-N
XLogP4.51
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.33
LogP ≤ 54.51
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-4-carboxamide
CID 16965732
N-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide
CID 16965703
N-[(1-heptylbenzimidazol-2-yl)methyl]-N-methylpyridine-4-carboxamide
CID 16965699
N-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970620
N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 16974270
1-[(3-bromophenyl)methyl]-2-propylbenzimidazole
CID 115569313
N-[2-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980234
N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
CID 16965844
N-methyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965763
N-[[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
CID 16965753
N-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16964092
N-[[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
CID 16965752

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of N-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide (CID 16965721) is N-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide is CN(Cc1nc2ccccc2n1Cc1cccc(Br)c1)C(=O)c1ccncc1.
What is the InChIKey of N-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide?
The InChIKey is RJKBSXYOPWUUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN4O/c1-26(22(28)17-9-11-24-12-10-17)15-21-25-19-7-2-3-8-20(19)27(21)14-16-5-4-6-18(23)13-16/h2-13H,14-15H2,1H3.
What are the key properties of N-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide?
N-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide has a molecular weight of 435.33 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 16965721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).