1-[(4-chlorophenyl)methyl]-3-[4-[(5-phenyltriazol-1-yl)methyl]cyclohexyl]urea

C23H26ClN5O — CID 163984346

IUPAC1-[(4-chlorophenyl)methyl]-3-[4-[(5-phenyltriazol-1-yl)methyl]cyclohexyl]urea
SMILESO=C(NCc1ccc(Cl)cc1)NC1CCC(Cn2nncc2-c2ccccc2)CC1
InChIInChI=1S/C23H26ClN5O/c24-20-10-6-17(7-11-20)14-25-23(30)27-21-12-8-18(9-13-21)16-29-22(15-26-28-29)19-4-2-1-3-5-19/h1-7,10-11,15,18,21H,8-9,12-14,16H2,(H2,25,27,30)
InChIKeyTUYXSHNAONIEKI-UHFFFAOYSA-N
MW423.95 g/mol
LogP4.66
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-3-[4-[(5-phenyltriazol-1-yl)methyl]cyclohexyl]urea

1-[(4-chlorophenyl)methyl]-3-[4-[(5-phenyltriazol-1-yl)methyl]cyclohexyl]urea (PubChem CID 163984346) has the molecular formula C23H26ClN5O and a molecular weight of 423.95 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[4-[(5-phenyltriazol-1-yl)methyl]cyclohexyl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[4-[(5-phenyltriazol-1-yl)methyl]cyclohexyl]urea
PubChem CID163984346
Molecular FormulaC23H26ClN5O
Molecular Weight423.95 g/mol
Exact Mass423.18
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[4-[(5-phenyltriazol-1-yl)methyl]cyclohexyl]urea
SMILESO=C(NCc1ccc(Cl)cc1)NC1CCC(Cn2nncc2-c2ccccc2)CC1
InChIInChI=1S/C23H26ClN5O/c24-20-10-6-17(7-11-20)14-25-23(30)27-21-12-8-18(9-13-21)16-29-22(15-26-28-29)19-4-2-1-3-5-19/h1-7,10-11,15,18,21H,8-9,12-14,16H2,(H2,25,27,30)
InChIKeyTUYXSHNAONIEKI-UHFFFAOYSA-N
XLogP4.66
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.95
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(4-chlorophenyl)methyl]-3-[4-[(5-phenyltriazol-1-yl)methyl]cyclohexyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-chlorophenyl)methyl]-3-[4-[(6-methyl-3-pyridinyl)methyl]cyclohexyl]urea
CID 166834993
1-[(4-chlorophenyl)methyl]-3-(4-pyridin-3-yloxycyclohexyl)urea
CID 166834962
1-[(4-chlorophenyl)methyl]-3-[4-[(2-methyl-3-pyridinyl)methyl]cyclohexyl]urea
CID 166834992
N-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-(dimethylamino)benzamide
CID 166834763
N-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 166834895
N-[[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]methyl]-2-oxopiperidine-4-carboxamide
CID 166835164
[6-[(4-chlorophenyl)methylcarbamoylamino]spiro[3.3]heptan-2-yl]carbamic acid
CID 170319732
1-[(4-chlorophenyl)methyl]-3-piperidin-3-ylurea
CID 117235602
1-benzyl-3-[1-(cyclopropylmethyl)-2-oxo-1-azaspiro[4.5]decan-8-yl]urea
CID 97494267
1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclopropylurea
CID 55104129
4-[[[4-(methylsulfanylmethyl)cyclohexyl]carbamoylamino]methyl]benzoic acid
CID 122016114
1-benzyl-3-(1-methylpiperidin-4-yl)urea
CID 11543306

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[4-[(5-phenyltriazol-1-yl)methyl]cyclohexyl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[4-[(5-phenyltriazol-1-yl)methyl]cyclohexyl]urea (CID 163984346) is 1-[(4-chlorophenyl)methyl]-3-[4-[(5-phenyltriazol-1-yl)methyl]cyclohexyl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[4-[(5-phenyltriazol-1-yl)methyl]cyclohexyl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[4-[(5-phenyltriazol-1-yl)methyl]cyclohexyl]urea is O=C(NCc1ccc(Cl)cc1)NC1CCC(Cn2nncc2-c2ccccc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[4-[(5-phenyltriazol-1-yl)methyl]cyclohexyl]urea?
The InChIKey is TUYXSHNAONIEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O/c24-20-10-6-17(7-11-20)14-25-23(30)27-21-12-8-18(9-13-21)16-29-22(15-26-28-29)19-4-2-1-3-5-19/h1-7,10-11,15,18,21H,8-9,12-14,16H2,(H2,25,27,30).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[4-[(5-phenyltriazol-1-yl)methyl]cyclohexyl]urea?
1-[(4-chlorophenyl)methyl]-3-[4-[(5-phenyltriazol-1-yl)methyl]cyclohexyl]urea has a molecular weight of 423.95 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[4-[(5-phenyltriazol-1-yl)methyl]cyclohexyl]urea is sourced from PubChem (CID 163984346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).