[1-[1-(3-chlorophenyl)imidazol-4-yl]-2-(4-cyanophenyl)ethyl] carbamate

C19H15ClN4O2 — CID 67599748

IUPAC[1-[1-(3-chlorophenyl)imidazol-4-yl]-2-(4-cyanophenyl)ethyl] carbamate
SMILESN#Cc1ccc(CC(OC(N)=O)c2cn(-c3cccc(Cl)c3)cn2)cc1
InChIInChI=1S/C19H15ClN4O2/c20-15-2-1-3-16(9-15)24-11-17(23-12-24)18(26-19(22)25)8-13-4-6-14(10-21)7-5-13/h1-7,9,11-12,18H,8H2,(H2,22,25)
InChIKeyLKJYJDKYASEWIG-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.78
Rot. Bonds5

About [1-[1-(3-chlorophenyl)imidazol-4-yl]-2-(4-cyanophenyl)ethyl] carbamate

[1-[1-(3-chlorophenyl)imidazol-4-yl]-2-(4-cyanophenyl)ethyl] carbamate (PubChem CID 67599748) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is [1-[1-(3-chlorophenyl)imidazol-4-yl]-2-(4-cyanophenyl)ethyl] carbamate.

Molecular Properties

Compound Name[1-[1-(3-chlorophenyl)imidazol-4-yl]-2-(4-cyanophenyl)ethyl] carbamate
PubChem CID67599748
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC Name[1-[1-(3-chlorophenyl)imidazol-4-yl]-2-(4-cyanophenyl)ethyl] carbamate
SMILESN#Cc1ccc(CC(OC(N)=O)c2cn(-c3cccc(Cl)c3)cn2)cc1
InChIInChI=1S/C19H15ClN4O2/c20-15-2-1-3-16(9-15)24-11-17(23-12-24)18(26-19(22)25)8-13-4-6-14(10-21)7-5-13/h1-7,9,11-12,18H,8H2,(H2,22,25)
InChIKeyLKJYJDKYASEWIG-UHFFFAOYSA-N
XLogP3.78
TPSA93.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-chlorophenyl)-1-[1-(difluoromethyl)pyrazol-3-yl]ethyl] carbamate
CID 175530526
methyl (3R)-3-[1-(3-chlorophenyl)imidazol-4-yl]butanoate
CID 174524375
3-(4-propan-2-ylimidazol-1-yl)benzonitrile
CID 159805460
3-[[2-(3-chlorophenyl)acetyl]amino]-4-(4-cyanophenyl)butanoic acid
CID 67360113
[2-(3-chlorophenyl)-1-phenylethyl] carbamate
CID 156884464
1-(3-cyanophenyl)imidazole-4-carboxylic acid
CID 69379074
N-(1-amino-3-phenylpropan-2-yl)-3-[1-(3-chlorophenyl)imidazol-4-yl]propanamide
CID 142442380
[(2R)-1-(4-cyanophenyl)-3-hydroxy-3-methylbutan-2-yl] carbamate
CID 139301195
[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)ethyl] N-(3-chlorophenyl)carbamate;hydrochloride
CID 70283922
4-(bromomethyl)-1-(3-chlorophenyl)imidazole
CID 130482648
N-[(3-chlorophenyl)methyl]-2-(4-cyanophenoxy)acetamide
CID 2710123
4-(4-propan-2-ylimidazol-1-yl)benzonitrile
CID 166589479

Frequently Asked Questions

What is the IUPAC name of [1-[1-(3-chlorophenyl)imidazol-4-yl]-2-(4-cyanophenyl)ethyl] carbamate?
The IUPAC name of [1-[1-(3-chlorophenyl)imidazol-4-yl]-2-(4-cyanophenyl)ethyl] carbamate (CID 67599748) is [1-[1-(3-chlorophenyl)imidazol-4-yl]-2-(4-cyanophenyl)ethyl] carbamate.
What is the SMILES notation for [1-[1-(3-chlorophenyl)imidazol-4-yl]-2-(4-cyanophenyl)ethyl] carbamate?
The canonical SMILES for [1-[1-(3-chlorophenyl)imidazol-4-yl]-2-(4-cyanophenyl)ethyl] carbamate is N#Cc1ccc(CC(OC(N)=O)c2cn(-c3cccc(Cl)c3)cn2)cc1.
What is the InChIKey of [1-[1-(3-chlorophenyl)imidazol-4-yl]-2-(4-cyanophenyl)ethyl] carbamate?
The InChIKey is LKJYJDKYASEWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c20-15-2-1-3-16(9-15)24-11-17(23-12-24)18(26-19(22)25)8-13-4-6-14(10-21)7-5-13/h1-7,9,11-12,18H,8H2,(H2,22,25).
What are the key properties of [1-[1-(3-chlorophenyl)imidazol-4-yl]-2-(4-cyanophenyl)ethyl] carbamate?
[1-[1-(3-chlorophenyl)imidazol-4-yl]-2-(4-cyanophenyl)ethyl] carbamate has a molecular weight of 366.81 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(3-chlorophenyl)imidazol-4-yl]-2-(4-cyanophenyl)ethyl] carbamate is sourced from PubChem (CID 67599748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).