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

C12H13ClN4O — CID 110446812

IUPAC1-(4-chlorophenyl)-3-[(1-methylimidazol-2-yl)methyl]urea
SMILESCn1ccnc1CNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN4O/c1-17-7-6-14-11(17)8-15-12(18)16-10-4-2-9(13)3-5-10/h2-7H,8H2,1H3,(H2,15,16,18)
InChIKeyQDLIUSFYPDYONB-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.40
Rot. Bonds3

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

1-(4-chlorophenyl)-3-[(1-methylimidazol-2-yl)methyl]urea (PubChem CID 110446812) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(1-methylimidazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(1-methylimidazol-2-yl)methyl]urea
PubChem CID110446812
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name1-(4-chlorophenyl)-3-[(1-methylimidazol-2-yl)methyl]urea
SMILESCn1ccnc1CNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN4O/c1-17-7-6-14-11(17)8-15-12(18)16-10-4-2-9(13)3-5-10/h2-7H,8H2,1H3,(H2,15,16,18)
InChIKeyQDLIUSFYPDYONB-UHFFFAOYSA-N
XLogP2.40
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(1-methylimidazol-2-yl)methylcarbamoylamino]phenyl]acetic acid
CID 63293690
2-chloro-5-[(1-methylimidazol-2-yl)methylcarbamoylamino]benzoic acid
CID 63294627
1-(4-butoxyphenyl)-3-[(1-methylimidazol-2-yl)methyl]urea
CID 118784639
4-chloro-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087975
2-methyl-4-[(1-methylimidazol-2-yl)methylcarbamoylamino]benzoic acid
CID 63294408
1-[3-(1-hydroxyethyl)phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea
CID 63295753
1-[(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methyl]-3-[(1-methylimidazol-2-yl)methyl]urea
CID 99847297
5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63235961
2-(4-chlorophenoxy)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 110441416
1-[3-[1-(methylamino)ethyl]phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea
CID 63295845
2-methyl-N-[4-[(1-methylimidazol-2-yl)methylamino]phenyl]propanamide
CID 60690893
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(1-methylimidazol-2-yl)methyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(1-methylimidazol-2-yl)methyl]urea (CID 110446812) is 1-(4-chlorophenyl)-3-[(1-methylimidazol-2-yl)methyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(1-methylimidazol-2-yl)methyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(1-methylimidazol-2-yl)methyl]urea is Cn1ccnc1CNC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(1-methylimidazol-2-yl)methyl]urea?
The InChIKey is QDLIUSFYPDYONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-17-7-6-14-11(17)8-15-12(18)16-10-4-2-9(13)3-5-10/h2-7H,8H2,1H3,(H2,15,16,18).
What are the key properties of 1-(4-chlorophenyl)-3-[(1-methylimidazol-2-yl)methyl]urea?
1-(4-chlorophenyl)-3-[(1-methylimidazol-2-yl)methyl]urea has a molecular weight of 264.72 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(1-methylimidazol-2-yl)methyl]urea is sourced from PubChem (CID 110446812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).