2-[1-(3-chlorophenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

C18H19ClN4O2 — CID 45281792

IUPAC2-[1-(3-chlorophenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESCC(NC(C)c1cccc(Cl)c1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C18H19ClN4O2/c1-10(12-4-3-5-13(19)8-12)20-11(2)17(24)21-14-6-7-15-16(9-14)23-18(25)22-15/h3-11,20H,1-2H3,(H,21,24)(H2,22,23,25)
InChIKeyUDKDTVOBTKOSMS-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.19
Rot. Bonds5

About 2-[1-(3-chlorophenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

2-[1-(3-chlorophenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (PubChem CID 45281792) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
PubChem CID45281792
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name2-[1-(3-chlorophenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESCC(NC(C)c1cccc(Cl)c1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C18H19ClN4O2/c1-10(12-4-3-5-13(19)8-12)20-11(2)17(24)21-14-6-7-15-16(9-14)23-18(25)22-15/h3-11,20H,1-2H3,(H,21,24)(H2,22,23,25)
InChIKeyUDKDTVOBTKOSMS-UHFFFAOYSA-N
XLogP3.19
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-chlorophenyl)ethylamino]-N-(3-methylsulfanylphenyl)propanamide
CID 112810915
2-[1-(3-chlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide
CID 51243795
2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 45281468
(2R)-2-[[(1R)-3-methyl-1-phenylbutyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 25483087
2-[1-(3-chlorophenyl)ethylamino]-N-(2,6-difluorophenyl)propanamide
CID 46667108
2-[1-(3-chlorophenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51243791
5-[1-(3-chloroanilino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43201238
2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 45351312
[(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]-[(1S)-1-phenylethyl]azanium
CID 9248740
(2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 8736548
(2R)-2-(4-bromoanilino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9273871
(2R)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9307505

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The IUPAC name of 2-[1-(3-chlorophenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (CID 45281792) is 2-[1-(3-chlorophenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.
What is the SMILES notation for 2-[1-(3-chlorophenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The canonical SMILES for 2-[1-(3-chlorophenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is CC(NC(C)c1cccc(Cl)c1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 2-[1-(3-chlorophenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The InChIKey is UDKDTVOBTKOSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-10(12-4-3-5-13(19)8-12)20-11(2)17(24)21-14-6-7-15-16(9-14)23-18(25)22-15/h3-11,20H,1-2H3,(H,21,24)(H2,22,23,25).
What are the key properties of 2-[1-(3-chlorophenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
2-[1-(3-chlorophenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide has a molecular weight of 358.83 g/mol, XLogP of 3.19, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is sourced from PubChem (CID 45281792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).