N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]pyridine-4-carboxamide

C22H20N4O — CID 46290663

IUPACN-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]pyridine-4-carboxamide
SMILESCn1c(CCc2ccc(NC(=O)c3ccncc3)cc2)nc2ccccc21
InChIInChI=1S/C22H20N4O/c1-26-20-5-3-2-4-19(20)25-21(26)11-8-16-6-9-18(10-7-16)24-22(27)17-12-14-23-15-13-17/h2-7,9-10,12-15H,8,11H2,1H3,(H,24,27)
InChIKeyUINPLVIUHSGLCQ-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.01
Rot. Bonds5

About N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]pyridine-4-carboxamide

N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]pyridine-4-carboxamide (PubChem CID 46290663) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]pyridine-4-carboxamide
PubChem CID46290663
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC NameN-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]pyridine-4-carboxamide
SMILESCn1c(CCc2ccc(NC(=O)c3ccncc3)cc2)nc2ccccc21
InChIInChI=1S/C22H20N4O/c1-26-20-5-3-2-4-19(20)25-21(26)11-8-16-6-9-18(10-7-16)24-22(27)17-12-14-23-15-13-17/h2-7,9-10,12-15H,8,11H2,1H3,(H,24,27)
InChIKeyUINPLVIUHSGLCQ-UHFFFAOYSA-N
XLogP4.01
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea
CID 46382333
N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328940
1-(3,4-dimethylphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 50825337
1-(2-chlorophenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382332
4-methoxy-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328919
2,4-dimethoxy-N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46290657
3-(dimethylamino)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46328410
N-[4-(2-aminoethyl)phenyl]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 21264572
N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 20933815
2-chloro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46328429
N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50765693
N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-2-(4-methylphenyl)acetamide
CID 50784494

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]pyridine-4-carboxamide (CID 46290663) is N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]pyridine-4-carboxamide is Cn1c(CCc2ccc(NC(=O)c3ccncc3)cc2)nc2ccccc21.
What is the InChIKey of N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]pyridine-4-carboxamide?
The InChIKey is UINPLVIUHSGLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-26-20-5-3-2-4-19(20)25-21(26)11-8-16-6-9-18(10-7-16)24-22(27)17-12-14-23-15-13-17/h2-7,9-10,12-15H,8,11H2,1H3,(H,24,27).
What are the key properties of N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]pyridine-4-carboxamide?
N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]pyridine-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 46290663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).