2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide

C18H20N4O2 — CID 51648188

IUPAC2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
SMILESCCn1c(=O)n(CC(=O)N[C@@H](C)c2ccccn2)c2ccccc21
InChIInChI=1S/C18H20N4O2/c1-3-21-15-9-4-5-10-16(15)22(18(21)24)12-17(23)20-13(2)14-8-6-7-11-19-14/h4-11,13H,3,12H2,1-2H3,(H,20,23)/t13-/m0/s1
InChIKeyHPGKXTFMWHMEKZ-ZDUSSCGKSA-N
MW324.38 g/mol
LogP2.10
Rot. Bonds5

About 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide

2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide (PubChem CID 51648188) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
PubChem CID51648188
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
SMILESCCn1c(=O)n(CC(=O)N[C@@H](C)c2ccccn2)c2ccccc21
InChIInChI=1S/C18H20N4O2/c1-3-21-15-9-4-5-10-16(15)22(18(21)24)12-17(23)20-13(2)14-8-6-7-11-19-14/h4-11,13H,3,12H2,1-2H3,(H,20,23)/t13-/m0/s1
InChIKeyHPGKXTFMWHMEKZ-ZDUSSCGKSA-N
XLogP2.10
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 51648189
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-2-ylethyl)propanamide
CID 24645457
2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)-N-(1-pyridin-2-ylethyl)acetamide
CID 53200902
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
(2S)-2-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 119360644
N-[1-(1-benzofuran-2-yl)ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 24609224
N-[1-(3-acetamidophenyl)ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 55585412
2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 81401514
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 55710560
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylpropanamide
CID 18107170
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 47060824
2-(propan-2-ylamino)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407440

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide?
The IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide (CID 51648188) is 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide.
What is the SMILES notation for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide?
The canonical SMILES for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide is CCn1c(=O)n(CC(=O)N[C@@H](C)c2ccccn2)c2ccccc21.
What is the InChIKey of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide?
The InChIKey is HPGKXTFMWHMEKZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-3-21-15-9-4-5-10-16(15)22(18(21)24)12-17(23)20-13(2)14-8-6-7-11-19-14/h4-11,13H,3,12H2,1-2H3,(H,20,23)/t13-/m0/s1.
What are the key properties of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide?
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide has a molecular weight of 324.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide is sourced from PubChem (CID 51648188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).