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

C16H21ClN4O2 — CID 95129972

IUPAC1-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea
SMILESCOC[C@@H](C)NC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C
InChIInChI=1S/C16H21ClN4O2/c1-11(10-23-3)19-16(22)20-14(15-18-8-9-21(15)2)12-4-6-13(17)7-5-12/h4-9,11,14H,10H2,1-3H3,(H2,19,20,22)/t11-,14-/m1/s1
InChIKeyILZMZSUMJCEQKQ-BXUZGUMPSA-N
MW336.82 g/mol
LogP2.50
Rot. Bonds6

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

1-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea (PubChem CID 95129972) has the molecular formula C16H21ClN4O2 and a molecular weight of 336.82 g/mol. Its IUPAC name is 1-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea.

Molecular Properties

Compound Name1-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea
PubChem CID95129972
Molecular FormulaC16H21ClN4O2
Molecular Weight336.82 g/mol
Exact Mass336.14
IUPAC Name1-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea
SMILESCOC[C@@H](C)NC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C
InChIInChI=1S/C16H21ClN4O2/c1-11(10-23-3)19-16(22)20-14(15-18-8-9-21(15)2)12-4-6-13(17)7-5-12/h4-9,11,14H,10H2,1-3H3,(H2,19,20,22)/t11-,14-/m1/s1
InChIKeyILZMZSUMJCEQKQ-BXUZGUMPSA-N
XLogP2.50
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea with MolForge

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Related Compounds

1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1-phenylethyl)urea
CID 42954342
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
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1-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-ethoxyethyl)urea
CID 94042521
2-(4-chlorophenyl)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
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3-(4-chlorophenoxy)-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51955813
1-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-hydroxypropyl)urea
CID 94149099
1-butyl-3-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 36961553
1-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]urea
CID 36519305
(2R)-2-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide;hydrochloride
CID 119273847
2-(4-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 24535478
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(2-methylpropoxy)benzamide
CID 25325512
1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-cyclohexylurea
CID 110429557

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea?
The IUPAC name of 1-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea (CID 95129972) is 1-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea.
What is the SMILES notation for 1-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea?
The canonical SMILES for 1-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea is COC[C@@H](C)NC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C.
What is the InChIKey of 1-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea?
The InChIKey is ILZMZSUMJCEQKQ-BXUZGUMPSA-N. The full InChI is InChI=1S/C16H21ClN4O2/c1-11(10-23-3)19-16(22)20-14(15-18-8-9-21(15)2)12-4-6-13(17)7-5-12/h4-9,11,14H,10H2,1-3H3,(H2,19,20,22)/t11-,14-/m1/s1.
What are the key properties of 1-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea?
1-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea has a molecular weight of 336.82 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(2R)-1-methoxypropan-2-yl]urea is sourced from PubChem (CID 95129972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).