N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide

C18H20N4O — CID 124571675

IUPACN-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide
SMILESC[C@H](NC(=O)CCc1ccncc1)c1nc2ccccc2n1C
InChIInChI=1S/C18H20N4O/c1-13(18-21-15-5-3-4-6-16(15)22(18)2)20-17(23)8-7-14-9-11-19-12-10-14/h3-6,9-13H,7-8H2,1-2H3,(H,20,23)/t13-/m0/s1
InChIKeyYSSKWXFMXULREA-ZDUSSCGKSA-N
MW308.38 g/mol
LogP2.78
Rot. Bonds5

About N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide

N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide (PubChem CID 124571675) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide
PubChem CID124571675
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC NameN-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide
SMILESC[C@H](NC(=O)CCc1ccncc1)c1nc2ccccc2n1C
InChIInChI=1S/C18H20N4O/c1-13(18-21-15-5-3-4-6-16(15)22(18)2)20-17(23)8-7-14-9-11-19-12-10-14/h3-6,9-13H,7-8H2,1-2H3,(H,20,23)/t13-/m0/s1
InChIKeyYSSKWXFMXULREA-ZDUSSCGKSA-N
XLogP2.78
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
3-phenyl-N-[1-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16970469
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 751118
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 4082682
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 125446347
2-methoxy-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 751110
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137127135
N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide
CID 16970435
2-(4-ethoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 95772905
N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 16966659
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-(4-methoxyphenyl)propanamide
CID 91821956
2-(2-methoxyethylamino)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 119890038

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide?
The IUPAC name of N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide (CID 124571675) is N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide is C[C@H](NC(=O)CCc1ccncc1)c1nc2ccccc2n1C.
What is the InChIKey of N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide?
The InChIKey is YSSKWXFMXULREA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13(18-21-15-5-3-4-6-16(15)22(18)2)20-17(23)8-7-14-9-11-19-12-10-14/h3-6,9-13H,7-8H2,1-2H3,(H,20,23)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide?
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide has a molecular weight of 308.38 g/mol, XLogP of 2.78, 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)ethyl]-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 124571675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).