3-[(1-ethylimidazol-2-yl)-phenylmethyl]-1,1-dimethylurea

C15H20N4O — CID 110460025

IUPAC3-[(1-ethylimidazol-2-yl)-phenylmethyl]-1,1-dimethylurea
SMILESCCn1ccnc1C(NC(=O)N(C)C)c1ccccc1
InChIInChI=1S/C15H20N4O/c1-4-19-11-10-16-14(19)13(17-15(20)18(2)3)12-8-6-5-7-9-12/h5-11,13H,4H2,1-3H3,(H,17,20)
InChIKeyRWXVVCFRXUXXHF-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.26
Rot. Bonds4

About 3-[(1-ethylimidazol-2-yl)-phenylmethyl]-1,1-dimethylurea

3-[(1-ethylimidazol-2-yl)-phenylmethyl]-1,1-dimethylurea (PubChem CID 110460025) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[(1-ethylimidazol-2-yl)-phenylmethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[(1-ethylimidazol-2-yl)-phenylmethyl]-1,1-dimethylurea
PubChem CID110460025
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-[(1-ethylimidazol-2-yl)-phenylmethyl]-1,1-dimethylurea
SMILESCCn1ccnc1C(NC(=O)N(C)C)c1ccccc1
InChIInChI=1S/C15H20N4O/c1-4-19-11-10-16-14(19)13(17-15(20)18(2)3)12-8-6-5-7-9-12/h5-11,13H,4H2,1-3H3,(H,17,20)
InChIKeyRWXVVCFRXUXXHF-UHFFFAOYSA-N
XLogP2.26
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(1-ethylimidazol-2-yl)-phenylmethyl]-1,1-dimethylurea 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

3-benzhydryl-1,1-dimethylurea
CID 2228466
3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea
CID 110429250
1-(1-ethylimidazol-2-yl)-2-phenylbutan-1-one
CID 114972994
4-[ethylamino-(1-ethylimidazol-2-yl)methyl]-N,N-dimethylaniline
CID 105149884
3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020
(2S)-2-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]pentanamide
CID 107569369
3-[ethylamino-(1-ethylimidazol-2-yl)methyl]-N,N-dimethylaniline
CID 105149849
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 40809503
1-(1-ethylimidazol-2-yl)-N-methyl-2-phenylbutan-1-amine
CID 115860159
1-N,1-N-diethyl-4-N-[(1-methylimidazol-2-yl)-phenylmethyl]piperidine-1,4-dicarboxamide
CID 55718362
1-cyclopropyl-1-[(1S)-1-cyclopropylethyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea
CID 95908638
1-(1-ethylimidazol-2-yl)-2-phenylethanol
CID 63976496

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylimidazol-2-yl)-phenylmethyl]-1,1-dimethylurea?
The IUPAC name of 3-[(1-ethylimidazol-2-yl)-phenylmethyl]-1,1-dimethylurea (CID 110460025) is 3-[(1-ethylimidazol-2-yl)-phenylmethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[(1-ethylimidazol-2-yl)-phenylmethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[(1-ethylimidazol-2-yl)-phenylmethyl]-1,1-dimethylurea is CCn1ccnc1C(NC(=O)N(C)C)c1ccccc1.
What is the InChIKey of 3-[(1-ethylimidazol-2-yl)-phenylmethyl]-1,1-dimethylurea?
The InChIKey is RWXVVCFRXUXXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-19-11-10-16-14(19)13(17-15(20)18(2)3)12-8-6-5-7-9-12/h5-11,13H,4H2,1-3H3,(H,17,20).
What are the key properties of 3-[(1-ethylimidazol-2-yl)-phenylmethyl]-1,1-dimethylurea?
3-[(1-ethylimidazol-2-yl)-phenylmethyl]-1,1-dimethylurea has a molecular weight of 272.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylimidazol-2-yl)-phenylmethyl]-1,1-dimethylurea is sourced from PubChem (CID 110460025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).