1-[(2-chlorophenyl)methyl]-3-[(2S)-3-imidazol-1-yl-2-methylpropyl]urea

C15H19ClN4O — CID 95598107

IUPAC1-[(2-chlorophenyl)methyl]-3-[(2S)-3-imidazol-1-yl-2-methylpropyl]urea
SMILESC[C@@H](CNC(=O)NCc1ccccc1Cl)Cn1ccnc1
InChIInChI=1S/C15H19ClN4O/c1-12(10-20-7-6-17-11-20)8-18-15(21)19-9-13-4-2-3-5-14(13)16/h2-7,11-12H,8-10H2,1H3,(H2,18,19,21)/t12-/m0/s1
InChIKeyVLTXBWVBFLPLOA-LBPRGKRZSA-N
MW306.80 g/mol
LogP2.67
Rot. Bonds6

About 1-[(2-chlorophenyl)methyl]-3-[(2S)-3-imidazol-1-yl-2-methylpropyl]urea

1-[(2-chlorophenyl)methyl]-3-[(2S)-3-imidazol-1-yl-2-methylpropyl]urea (PubChem CID 95598107) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-[(2S)-3-imidazol-1-yl-2-methylpropyl]urea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-[(2S)-3-imidazol-1-yl-2-methylpropyl]urea
PubChem CID95598107
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name1-[(2-chlorophenyl)methyl]-3-[(2S)-3-imidazol-1-yl-2-methylpropyl]urea
SMILESC[C@@H](CNC(=O)NCc1ccccc1Cl)Cn1ccnc1
InChIInChI=1S/C15H19ClN4O/c1-12(10-20-7-6-17-11-20)8-18-15(21)19-9-13-4-2-3-5-14(13)16/h2-7,11-12H,8-10H2,1H3,(H2,18,19,21)/t12-/m0/s1
InChIKeyVLTXBWVBFLPLOA-LBPRGKRZSA-N
XLogP2.67
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-(3-imidazol-1-yl-2-methylpropyl)pyridine-2-carboxamide
CID 91649854
2-(4-aminophenyl)-N-(3-imidazol-1-yl-2-methylpropyl)acetamide
CID 119859022
3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-3-phenylpropanamide
CID 119953299
2-[(2-chlorophenyl)methylsulfanyl]-N-(1-imidazol-1-ylbutan-2-yl)acetamide
CID 46988632
1-[[2-(methanesulfonamido)phenyl]methyl]-3-(2-methyl-3-pyrazol-1-ylpropyl)urea
CID 51124441
3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-2-methylbutanamide;dihydrochloride
CID 120503214
1-[(2-chlorophenyl)methyl]-3-propan-2-ylurea
CID 23548600
N-[(2R)-3-imidazol-1-yl-2-methylpropyl]-1-benzothiophene-2-carboxamide
CID 124589580
N-(3-imidazol-1-yl-2-methylpropyl)-1-benzothiophene-3-carboxamide
CID 122141828
2-amino-N-(3-imidazol-1-yl-2-methylpropyl)pentanamide
CID 119859030
3-imidazol-1-yl-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 60595640
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 111435084

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[(2S)-3-imidazol-1-yl-2-methylpropyl]urea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[(2S)-3-imidazol-1-yl-2-methylpropyl]urea (CID 95598107) is 1-[(2-chlorophenyl)methyl]-3-[(2S)-3-imidazol-1-yl-2-methylpropyl]urea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-[(2S)-3-imidazol-1-yl-2-methylpropyl]urea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-[(2S)-3-imidazol-1-yl-2-methylpropyl]urea is C[C@@H](CNC(=O)NCc1ccccc1Cl)Cn1ccnc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-[(2S)-3-imidazol-1-yl-2-methylpropyl]urea?
The InChIKey is VLTXBWVBFLPLOA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-12(10-20-7-6-17-11-20)8-18-15(21)19-9-13-4-2-3-5-14(13)16/h2-7,11-12H,8-10H2,1H3,(H2,18,19,21)/t12-/m0/s1.
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-[(2S)-3-imidazol-1-yl-2-methylpropyl]urea?
1-[(2-chlorophenyl)methyl]-3-[(2S)-3-imidazol-1-yl-2-methylpropyl]urea has a molecular weight of 306.80 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-[(2S)-3-imidazol-1-yl-2-methylpropyl]urea is sourced from PubChem (CID 95598107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).