1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3-propylurea

C14H20N4O2 — CID 110775432

IUPAC1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3-propylurea
SMILESCCCNC(=O)NCc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C14H20N4O2/c1-4-7-15-13(19)16-9-10-5-6-11-12(8-10)18(3)14(20)17(11)2/h5-6,8H,4,7,9H2,1-3H3,(H2,15,16,19)
InChIKeyRUBUGHNZBXJWEA-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.09
Rot. Bonds4

About 1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3-propylurea

1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3-propylurea (PubChem CID 110775432) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3-propylurea.

Molecular Properties

Compound Name1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3-propylurea
PubChem CID110775432
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3-propylurea
SMILESCCCNC(=O)NCc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C14H20N4O2/c1-4-7-15-13(19)16-9-10-5-6-11-12(8-10)18(3)14(20)17(11)2/h5-6,8H,4,7,9H2,1-3H3,(H2,15,16,19)
InChIKeyRUBUGHNZBXJWEA-UHFFFAOYSA-N
XLogP1.09
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3-propylurea 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

N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3,4,5-triethoxybenzamide
CID 5305578
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]cyclohexanecarboxamide
CID 110785342
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propylurea
CID 110774865
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]furan-2-carboxamide
CID 110785347
1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-propylurea
CID 110775002
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-4-methoxybenzamide
CID 110785359
1-[2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)ethyl]-3-phenylurea
CID 110776177
3-acetyl-N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]benzamide
CID 90651448
1-(1,3-benzodioxol-5-ylmethyl)-3-propylurea
CID 17277591
N-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-2-(3-fluorophenyl)acetamide
CID 110785396
5-[(tert-butylamino)methyl]-1,3-dimethylbenzimidazol-2-one
CID 6472192
2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(2-methoxyethyl)acetamide
CID 110772244

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3-propylurea?
The IUPAC name of 1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3-propylurea (CID 110775432) is 1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3-propylurea.
What is the SMILES notation for 1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3-propylurea?
The canonical SMILES for 1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3-propylurea is CCCNC(=O)NCc1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of 1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3-propylurea?
The InChIKey is RUBUGHNZBXJWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-4-7-15-13(19)16-9-10-5-6-11-12(8-10)18(3)14(20)17(11)2/h5-6,8H,4,7,9H2,1-3H3,(H2,15,16,19).
What are the key properties of 1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3-propylurea?
1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3-propylurea has a molecular weight of 276.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]-3-propylurea is sourced from PubChem (CID 110775432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).