1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1-phenylethyl)urea

C20H21ClN4O — CID 42954342

IUPAC1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1-phenylethyl)urea
SMILESCC(NC(=O)NC(c1ccc(Cl)cc1)c1nccn1C)c1ccccc1
InChIInChI=1S/C20H21ClN4O/c1-14(15-6-4-3-5-7-15)23-20(26)24-18(19-22-12-13-25(19)2)16-8-10-17(21)11-9-16/h3-14,18H,1-2H3,(H2,23,24,26)
InChIKeyJHBBRFPFADGYCM-UHFFFAOYSA-N
MW368.87 g/mol
LogP4.22
Rot. Bonds5

About 1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1-phenylethyl)urea

1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1-phenylethyl)urea (PubChem CID 42954342) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1-phenylethyl)urea
PubChem CID42954342
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1-phenylethyl)urea
SMILESCC(NC(=O)NC(c1ccc(Cl)cc1)c1nccn1C)c1ccccc1
InChIInChI=1S/C20H21ClN4O/c1-14(15-6-4-3-5-7-15)23-20(26)24-18(19-22-12-13-25(19)2)16-8-10-17(21)11-9-16/h3-14,18H,1-2H3,(H2,23,24,26)
InChIKeyJHBBRFPFADGYCM-UHFFFAOYSA-N
XLogP4.22
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1S)-1-phenylethyl]urea
CID 36515644
1-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1R)-1-phenylethyl]urea
CID 36515652
1-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-fluorophenyl)urea
CID 41430470
1-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea
CID 95129972
1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3,4-dichlorophenyl)urea
CID 24612413
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 27034422
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51559087
1-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]urea
CID 36519305
1-(3-chlorophenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 41430449
(2R)-2-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide;hydrochloride
CID 119273847
1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-cyclohexylurea
CID 110429557
3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 40809427

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1-phenylethyl)urea?
The IUPAC name of 1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1-phenylethyl)urea (CID 42954342) is 1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1-phenylethyl)urea.
What is the SMILES notation for 1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1-phenylethyl)urea?
The canonical SMILES for 1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1-phenylethyl)urea is CC(NC(=O)NC(c1ccc(Cl)cc1)c1nccn1C)c1ccccc1.
What is the InChIKey of 1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1-phenylethyl)urea?
The InChIKey is JHBBRFPFADGYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-14(15-6-4-3-5-7-15)23-20(26)24-18(19-22-12-13-25(19)2)16-8-10-17(21)11-9-16/h3-14,18H,1-2H3,(H2,23,24,26).
What are the key properties of 1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1-phenylethyl)urea?
1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1-phenylethyl)urea has a molecular weight of 368.87 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1-phenylethyl)urea is sourced from PubChem (CID 42954342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).