5-[[1-(3-methoxyphenyl)propan-2-ylamino]methyl]-1,3-dimethylbenzimidazol-2-one

C20H25N3O2 — CID 50983129

IUPAC5-[[1-(3-methoxyphenyl)propan-2-ylamino]methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCOc1cccc(CC(C)NCc2ccc3c(c2)n(C)c(=O)n3C)c1
InChIInChI=1S/C20H25N3O2/c1-14(10-15-6-5-7-17(11-15)25-4)21-13-16-8-9-18-19(12-16)23(3)20(24)22(18)2/h5-9,11-12,14,21H,10,13H2,1-4H3
InChIKeyKHKBKCDLQLJIDT-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.61
Rot. Bonds6

About 5-[[1-(3-methoxyphenyl)propan-2-ylamino]methyl]-1,3-dimethylbenzimidazol-2-one

5-[[1-(3-methoxyphenyl)propan-2-ylamino]methyl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 50983129) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 5-[[1-(3-methoxyphenyl)propan-2-ylamino]methyl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[[1-(3-methoxyphenyl)propan-2-ylamino]methyl]-1,3-dimethylbenzimidazol-2-one
PubChem CID50983129
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name5-[[1-(3-methoxyphenyl)propan-2-ylamino]methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCOc1cccc(CC(C)NCc2ccc3c(c2)n(C)c(=O)n3C)c1
InChIInChI=1S/C20H25N3O2/c1-14(10-15-6-5-7-17(11-15)25-4)21-13-16-8-9-18-19(12-16)23(3)20(24)22(18)2/h5-9,11-12,14,21H,10,13H2,1-4H3
InChIKeyKHKBKCDLQLJIDT-UHFFFAOYSA-N
XLogP2.61
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[1-(3-methoxyphenyl)propan-2-ylamino]methyl]-1,3-dimethylbenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[1-(3-methoxyphenyl)propan-2-ylamino]ethyl]-1H-pyridazine-3,6-dione
CID 50952519
1-chloro-N-[(3-methoxyphenyl)methyl]propan-2-amine
CID 65025454
(2S)-1-methoxy-N-[(3-methoxyphenyl)methyl]propan-2-amine
CID 781281
2-[(3-methoxyphenyl)methylamino]propan-1-ol
CID 43499761
1,3-dimethyl-5-[[[(2S)-4-pyrazol-1-ylbutan-2-yl]amino]methyl]benzimidazol-2-one
CID 95132562
3-[(3-methoxyphenyl)methylamino]butan-1-ol
CID 78998469
(2R)-N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)propan-2-amine
CID 7443154
[3-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol
CID 103781729
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-methoxybenzamide
CID 110785359
1-N-tert-butyl-2-N-[(3-methoxyphenyl)methyl]propane-1,2-diamine
CID 113407506
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 63011929

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(3-methoxyphenyl)propan-2-ylamino]methyl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[[1-(3-methoxyphenyl)propan-2-ylamino]methyl]-1,3-dimethylbenzimidazol-2-one (CID 50983129) is 5-[[1-(3-methoxyphenyl)propan-2-ylamino]methyl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[[1-(3-methoxyphenyl)propan-2-ylamino]methyl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[[1-(3-methoxyphenyl)propan-2-ylamino]methyl]-1,3-dimethylbenzimidazol-2-one is COc1cccc(CC(C)NCc2ccc3c(c2)n(C)c(=O)n3C)c1.
What is the InChIKey of 5-[[1-(3-methoxyphenyl)propan-2-ylamino]methyl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is KHKBKCDLQLJIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14(10-15-6-5-7-17(11-15)25-4)21-13-16-8-9-18-19(12-16)23(3)20(24)22(18)2/h5-9,11-12,14,21H,10,13H2,1-4H3.
What are the key properties of 5-[[1-(3-methoxyphenyl)propan-2-ylamino]methyl]-1,3-dimethylbenzimidazol-2-one?
5-[[1-(3-methoxyphenyl)propan-2-ylamino]methyl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 339.44 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(3-methoxyphenyl)propan-2-ylamino]methyl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 50983129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).