1-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]-3-methylurea

C14H19N5O — CID 62349759

IUPAC1-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]-3-methylurea
SMILESCCn1ccnc1CNc1ccc(NC(=O)NC)cc1
InChIInChI=1S/C14H19N5O/c1-3-19-9-8-16-13(19)10-17-11-4-6-12(7-5-11)18-14(20)15-2/h4-9,17H,3,10H2,1-2H3,(H2,15,18,20)
InChIKeyOLVMXHGRHULCSJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.27
Rot. Bonds5

About 1-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]-3-methylurea

1-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]-3-methylurea (PubChem CID 62349759) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]-3-methylurea
PubChem CID62349759
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]-3-methylurea
SMILESCCn1ccnc1CNc1ccc(NC(=O)NC)cc1
InChIInChI=1S/C14H19N5O/c1-3-19-9-8-16-13(19)10-17-11-4-6-12(7-5-11)18-14(20)15-2/h4-9,17H,3,10H2,1-2H3,(H2,15,18,20)
InChIKeyOLVMXHGRHULCSJ-UHFFFAOYSA-N
XLogP2.27
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]-3-methylurea 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

tert-butyl N-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]carbamate
CID 103756740
N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide
CID 62956453
N-[(1-ethylimidazol-2-yl)methyl]-4-methylsulfonylaniline
CID 62356891
methyl N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]carbamate
CID 62956308
N-[(1-ethylimidazol-2-yl)methyl]-4-(2-methoxyethoxy)aniline
CID 62350814
N-ethyl-4-[(1-ethylimidazol-2-yl)methylamino]benzenesulfonamide
CID 62349942
5-[(1-ethylimidazol-2-yl)methylamino]-2-fluorobenzamide
CID 62357763
N-[(1-ethylimidazol-2-yl)methyl]-4-(1,3-thiazol-2-yl)aniline
CID 62352245
1-methyl-3-[4-[(1-propylpyrrol-2-yl)methylamino]phenyl]urea
CID 66412531
1-methyl-3-[4-(pyridin-4-ylmethylamino)phenyl]urea
CID 43744357
3-chloro-N-[(1-ethylimidazol-2-yl)methyl]-4-methylaniline
CID 62357562
3-bromo-N-[(1-ethylimidazol-2-yl)methyl]-4-fluoroaniline
CID 115693757

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]-3-methylurea?
The IUPAC name of 1-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]-3-methylurea (CID 62349759) is 1-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]-3-methylurea.
What is the SMILES notation for 1-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]-3-methylurea?
The canonical SMILES for 1-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]-3-methylurea is CCn1ccnc1CNc1ccc(NC(=O)NC)cc1.
What is the InChIKey of 1-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]-3-methylurea?
The InChIKey is OLVMXHGRHULCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-19-9-8-16-13(19)10-17-11-4-6-12(7-5-11)18-14(20)15-2/h4-9,17H,3,10H2,1-2H3,(H2,15,18,20).
What are the key properties of 1-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]-3-methylurea?
1-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]-3-methylurea has a molecular weight of 273.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-ethylimidazol-2-yl)methylamino]phenyl]-3-methylurea is sourced from PubChem (CID 62349759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).