1-benzhydryl-3-(cyclohexylmethyl)urea

C21H26N2O — CID 108902827

IUPAC1-benzhydryl-3-(cyclohexylmethyl)urea
SMILESO=C(NCC1CCCCC1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26N2O/c24-21(22-16-17-10-4-1-5-11-17)23-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h2-3,6-9,12-15,17,20H,1,4-5,10-11,16H2,(H2,22,23,24)
InChIKeySRXAXQMYLFRXOK-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.66
Rot. Bonds5

About 1-benzhydryl-3-(cyclohexylmethyl)urea

1-benzhydryl-3-(cyclohexylmethyl)urea (PubChem CID 108902827) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-benzhydryl-3-(cyclohexylmethyl)urea.

Molecular Properties

Compound Name1-benzhydryl-3-(cyclohexylmethyl)urea
PubChem CID108902827
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name1-benzhydryl-3-(cyclohexylmethyl)urea
SMILESO=C(NCC1CCCCC1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26N2O/c24-21(22-16-17-10-4-1-5-11-17)23-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h2-3,6-9,12-15,17,20H,1,4-5,10-11,16H2,(H2,22,23,24)
InChIKeySRXAXQMYLFRXOK-UHFFFAOYSA-N
XLogP4.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-benzhydryl-3-(cyclohexylmethyl)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

(2R)-2-(cyclohexylmethylcarbamoylamino)-2-phenylacetic acid
CID 61197265
1-benzhydryl-3-[(1-benzhydrylpyrrolidin-3-yl)methyl]urea
CID 11294480
1-benzhydryl-3-(3,4-dihydro-2H-chromen-3-ylmethyl)urea
CID 55769875
(2R)-N-(cyclohexylmethyl)-2-(dimethylamino)-2-phenylacetamide
CID 100566223
2-(benzhydrylcarbamoylamino)acetic acid
CID 43445708
N-[2-(benzhydrylamino)-2-oxoethyl]cyclohexanecarboxamide
CID 18104757
1-(1-phenylethyl)-3-(piperidin-4-ylmethyl)urea;hydrochloride
CID 171393262
1-(cyclopentylmethyl)-3-propan-2-ylurea
CID 84521639
N-(cycloheptylmethyl)-2-phenylacetamide
CID 54313529
(2R)-N-(cyclohexylmethyl)-2-phenyl-2-(phenylmethoxycarbamoylamino)acetamide
CID 24874558
1-(cyclohexylmethyl)-3-[1-(4-ethylphenyl)ethyl]urea
CID 108902838
1-(cyclobutylmethyl)-3-(cyclohexylmethyl)urea
CID 155200065

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-(cyclohexylmethyl)urea?
The IUPAC name of 1-benzhydryl-3-(cyclohexylmethyl)urea (CID 108902827) is 1-benzhydryl-3-(cyclohexylmethyl)urea.
What is the SMILES notation for 1-benzhydryl-3-(cyclohexylmethyl)urea?
The canonical SMILES for 1-benzhydryl-3-(cyclohexylmethyl)urea is O=C(NCC1CCCCC1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-(cyclohexylmethyl)urea?
The InChIKey is SRXAXQMYLFRXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c24-21(22-16-17-10-4-1-5-11-17)23-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h2-3,6-9,12-15,17,20H,1,4-5,10-11,16H2,(H2,22,23,24).
What are the key properties of 1-benzhydryl-3-(cyclohexylmethyl)urea?
1-benzhydryl-3-(cyclohexylmethyl)urea has a molecular weight of 322.45 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-(cyclohexylmethyl)urea is sourced from PubChem (CID 108902827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).