1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-methylurea

C20H25N5OS — CID 122564864

IUPAC1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-methylurea
SMILESCCc1nc(C)c(CNC(=O)N(C)Cc2nccn2Cc2ccccc2)s1
InChIInChI=1S/C20H25N5OS/c1-4-19-23-15(2)17(27-19)12-22-20(26)24(3)14-18-21-10-11-25(18)13-16-8-6-5-7-9-16/h5-11H,4,12-14H2,1-3H3,(H,22,26)
InChIKeyIWYWQGYWFBCKDP-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.60
Rot. Bonds7

About 1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-methylurea

1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-methylurea (PubChem CID 122564864) has the molecular formula C20H25N5OS and a molecular weight of 383.52 g/mol. Its IUPAC name is 1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-methylurea.

Molecular Properties

Compound Name1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-methylurea
PubChem CID122564864
Molecular FormulaC20H25N5OS
Molecular Weight383.52 g/mol
Exact Mass383.18
IUPAC Name1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-methylurea
SMILESCCc1nc(C)c(CNC(=O)N(C)Cc2nccn2Cc2ccccc2)s1
InChIInChI=1S/C20H25N5OS/c1-4-19-23-15(2)17(27-19)12-22-20(26)24(3)14-18-21-10-11-25(18)13-16-8-6-5-7-9-16/h5-11H,4,12-14H2,1-3H3,(H,22,26)
InChIKeyIWYWQGYWFBCKDP-UHFFFAOYSA-N
XLogP3.60
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-methylurea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-methylurea?
The IUPAC name of 1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-methylurea (CID 122564864) is 1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-methylurea.
What is the SMILES notation for 1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-methylurea?
The canonical SMILES for 1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-methylurea is CCc1nc(C)c(CNC(=O)N(C)Cc2nccn2Cc2ccccc2)s1.
What is the InChIKey of 1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-methylurea?
The InChIKey is IWYWQGYWFBCKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5OS/c1-4-19-23-15(2)17(27-19)12-22-20(26)24(3)14-18-21-10-11-25(18)13-16-8-6-5-7-9-16/h5-11H,4,12-14H2,1-3H3,(H,22,26).
What are the key properties of 1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-methylurea?
1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-methylurea has a molecular weight of 383.52 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-methylurea is sourced from PubChem (CID 122564864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).