1-methyl-5-[1-(1-methylbenzimidazol-2-yl)ethylamino]pyridin-2-one

C16H18N4O — CID 60932031

IUPAC1-methyl-5-[1-(1-methylbenzimidazol-2-yl)ethylamino]pyridin-2-one
SMILESCC(Nc1ccc(=O)n(C)c1)c1nc2ccccc2n1C
InChIInChI=1S/C16H18N4O/c1-11(17-12-8-9-15(21)19(2)10-12)16-18-13-6-4-5-7-14(13)20(16)3/h4-11,17H,1-3H3
InChIKeyQUAPBADVXUHEGW-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.45
Rot. Bonds3

About 1-methyl-5-[1-(1-methylbenzimidazol-2-yl)ethylamino]pyridin-2-one

1-methyl-5-[1-(1-methylbenzimidazol-2-yl)ethylamino]pyridin-2-one (PubChem CID 60932031) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-methyl-5-[1-(1-methylbenzimidazol-2-yl)ethylamino]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[1-(1-methylbenzimidazol-2-yl)ethylamino]pyridin-2-one
PubChem CID60932031
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name1-methyl-5-[1-(1-methylbenzimidazol-2-yl)ethylamino]pyridin-2-one
SMILESCC(Nc1ccc(=O)n(C)c1)c1nc2ccccc2n1C
InChIInChI=1S/C16H18N4O/c1-11(17-12-8-9-15(21)19(2)10-12)16-18-13-6-4-5-7-14(13)20(16)3/h4-11,17H,1-3H3
InChIKeyQUAPBADVXUHEGW-UHFFFAOYSA-N
XLogP2.45
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43190024
4-bromo-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43194560
3,5-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43195422
N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridin-3-amine
CID 43190607
N-[1-(1-methylbenzimidazol-2-yl)ethyl]thiophen-3-amine
CID 66351451
3-fluoro-N-[1-(1-methylbenzimidazol-2-yl)ethyl]aniline
CID 43194264
1-ethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyrazol-4-amine
CID 43543411
N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 43190090
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
2-acetyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 124608305
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]formamide
CID 7574617
2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751106

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[1-(1-methylbenzimidazol-2-yl)ethylamino]pyridin-2-one?
The IUPAC name of 1-methyl-5-[1-(1-methylbenzimidazol-2-yl)ethylamino]pyridin-2-one (CID 60932031) is 1-methyl-5-[1-(1-methylbenzimidazol-2-yl)ethylamino]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[1-(1-methylbenzimidazol-2-yl)ethylamino]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[1-(1-methylbenzimidazol-2-yl)ethylamino]pyridin-2-one is CC(Nc1ccc(=O)n(C)c1)c1nc2ccccc2n1C.
What is the InChIKey of 1-methyl-5-[1-(1-methylbenzimidazol-2-yl)ethylamino]pyridin-2-one?
The InChIKey is QUAPBADVXUHEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11(17-12-8-9-15(21)19(2)10-12)16-18-13-6-4-5-7-14(13)20(16)3/h4-11,17H,1-3H3.
What are the key properties of 1-methyl-5-[1-(1-methylbenzimidazol-2-yl)ethylamino]pyridin-2-one?
1-methyl-5-[1-(1-methylbenzimidazol-2-yl)ethylamino]pyridin-2-one has a molecular weight of 282.35 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[1-(1-methylbenzimidazol-2-yl)ethylamino]pyridin-2-one is sourced from PubChem (CID 60932031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).