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

C20H24N4O4 — CID 45351312

IUPAC2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESCOc1ccc(OC)c(C(C)NC(C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C20H24N4O4/c1-11(15-10-14(27-3)6-8-18(15)28-4)21-12(2)19(25)22-13-5-7-16-17(9-13)24-20(26)23-16/h5-12,21H,1-4H3,(H,22,25)(H2,23,24,26)
InChIKeyWTMMJCMTQPKGMB-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.55
Rot. Bonds7

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

2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (PubChem CID 45351312) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
PubChem CID45351312
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESCOc1ccc(OC)c(C(C)NC(C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C20H24N4O4/c1-11(15-10-14(27-3)6-8-18(15)28-4)21-12(2)19(25)22-13-5-7-16-17(9-13)24-20(26)23-16/h5-12,21H,1-4H3,(H,22,25)(H2,23,24,26)
InChIKeyWTMMJCMTQPKGMB-UHFFFAOYSA-N
XLogP2.55
TPSA108.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-phenylpropanamide
CID 51226942
(2R)-2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-N-(4-nitrophenyl)propanamide
CID 26642114
(2R)-2-(2-methoxyanilino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9274065
N-(2-chlorophenyl)-2-[1-(2,5-dimethoxyphenyl)ethylamino]propanamide
CID 51245585
2-[1-(3-chlorophenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 45281792
2-[1-(2,5-dimethoxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 43401048
[(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] 2-methoxy-5-methylbenzoate
CID 9000228
2-[[2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 45281468
(2R)-2-(4-fluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 26700139
2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]propanamide
CID 17478550
(2R)-2-(4-bromoanilino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9273871
2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 51245605

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The IUPAC name of 2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (CID 45351312) is 2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.
What is the SMILES notation for 2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The canonical SMILES for 2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is COc1ccc(OC)c(C(C)NC(C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1.
What is the InChIKey of 2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The InChIKey is WTMMJCMTQPKGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-11(15-10-14(27-3)6-8-18(15)28-4)21-12(2)19(25)22-13-5-7-16-17(9-13)24-20(26)23-16/h5-12,21H,1-4H3,(H,22,25)(H2,23,24,26).
What are the key properties of 2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide has a molecular weight of 384.44 g/mol, XLogP of 2.55, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is sourced from PubChem (CID 45351312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).