N-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]pyridine-4-carboxamide

C22H20N4O — CID 110204364

IUPACN-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]pyridine-4-carboxamide
SMILESCn1c([C@H](Cc2ccccc2)NC(=O)c2ccncc2)nc2ccccc21
InChIInChI=1S/C22H20N4O/c1-26-20-10-6-5-9-18(20)24-21(26)19(15-16-7-3-2-4-8-16)25-22(27)17-11-13-23-14-12-17/h2-14,19H,15H2,1H3,(H,25,27)/t19-/m0/s1
InChIKeyQAUXVEYODPDGDI-IBGZPJMESA-N
MW356.43 g/mol
LogP3.68
Rot. Bonds5

About N-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]pyridine-4-carboxamide

N-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]pyridine-4-carboxamide (PubChem CID 110204364) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]pyridine-4-carboxamide
PubChem CID110204364
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC NameN-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]pyridine-4-carboxamide
SMILESCn1c([C@H](Cc2ccccc2)NC(=O)c2ccncc2)nc2ccccc21
InChIInChI=1S/C22H20N4O/c1-26-20-10-6-5-9-18(20)24-21(26)19(15-16-7-3-2-4-8-16)25-22(27)17-11-13-23-14-12-17/h2-14,19H,15H2,1H3,(H,25,27)/t19-/m0/s1
InChIKeyQAUXVEYODPDGDI-IBGZPJMESA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(2-hydroxyethyl)benzimidazol-2-yl]-2-phenylethyl]benzamide
CID 4738031
N-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 110204343
N-[1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-2-phenylethyl]benzamide
CID 3739139
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide
CID 124571675
N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965517
N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965365
2-(1-methylbenzimidazol-2-yl)-3-pyridin-4-ylpropan-1-amine
CID 83976139
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 751118
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 4082682
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965375
N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965407
N-[1-(1-nonylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965377

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]pyridine-4-carboxamide (CID 110204364) is N-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]pyridine-4-carboxamide is Cn1c([C@H](Cc2ccccc2)NC(=O)c2ccncc2)nc2ccccc21.
What is the InChIKey of N-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]pyridine-4-carboxamide?
The InChIKey is QAUXVEYODPDGDI-IBGZPJMESA-N. The full InChI is InChI=1S/C22H20N4O/c1-26-20-10-6-5-9-18(20)24-21(26)19(15-16-7-3-2-4-8-16)25-22(27)17-11-13-23-14-12-17/h2-14,19H,15H2,1H3,(H,25,27)/t19-/m0/s1.
What are the key properties of N-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]pyridine-4-carboxamide?
N-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]pyridine-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]pyridine-4-carboxamide is sourced from PubChem (CID 110204364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).