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

C20H21ClN4O — CID 171801414

IUPAC1-[(4-chlorophenyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea
SMILESCc1nccn1[C@H](C)c1ccc(NC(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H21ClN4O/c1-14(25-12-11-22-15(25)2)17-5-9-19(10-6-17)24-20(26)23-13-16-3-7-18(21)8-4-16/h3-12,14H,13H2,1-2H3,(H2,23,24,26)/t14-/m1/s1
InChIKeySFIITXSJKCITEO-CQSZACIVSA-N
MW368.87 g/mol
LogP4.78
Rot. Bonds5

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

1-[(4-chlorophenyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea (PubChem CID 171801414) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea
PubChem CID171801414
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea
SMILESCc1nccn1[C@H](C)c1ccc(NC(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H21ClN4O/c1-14(25-12-11-22-15(25)2)17-5-9-19(10-6-17)24-20(26)23-13-16-3-7-18(21)8-4-16/h3-12,14H,13H2,1-2H3,(H2,23,24,26)/t14-/m1/s1
InChIKeySFIITXSJKCITEO-CQSZACIVSA-N
XLogP4.78
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 ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(pyridazin-3-ylmethyl)urea
CID 171801159
1-[(5-fluoro-2-pyridinyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea
CID 171801368
1-(4-chlorophenyl)-3-[(4-propan-2-ylphenyl)methyl]urea
CID 172617530
1-[(4-fluoro-2-pyridinyl)methyl]-3-[4-[(1S)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea
CID 171801164
1-[4-(1-aminoethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea
CID 61340890
1-[(4-chlorophenyl)methyl]-3-[4-[(1S)-1-methylsulfanylethyl]phenyl]urea
CID 166706416
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
1-(4-chlorophenyl)-3-[(1-methylimidazol-2-yl)methyl]urea
CID 110446812
1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-[(1R)-1-(1H-pyrazol-5-yl)ethyl]urea
CID 171801089
phenyl N-[4-[1-(2-methylimidazol-1-yl)ethyl]phenyl]carbamate
CID 171801207
1-(4-tert-butylphenyl)-3-[(4-chlorophenyl)methyl]urea
CID 108884751
1-[(4-chlorophenyl)methyl]-3-[4-(1-methylpyrazol-3-yl)phenyl]urea
CID 156824810

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea (CID 171801414) is 1-[(4-chlorophenyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea is Cc1nccn1[C@H](C)c1ccc(NC(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea?
The InChIKey is SFIITXSJKCITEO-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-14(25-12-11-22-15(25)2)17-5-9-19(10-6-17)24-20(26)23-13-16-3-7-18(21)8-4-16/h3-12,14H,13H2,1-2H3,(H2,23,24,26)/t14-/m1/s1.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea?
1-[(4-chlorophenyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea has a molecular weight of 368.87 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea is sourced from PubChem (CID 171801414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).