1-cyclopentyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea

C14H18N4O2 — CID 110775425

IUPAC1-cyclopentyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
SMILESO=C(NCc1ccc2[nH]c(=O)[nH]c2c1)NC1CCCC1
InChIInChI=1S/C14H18N4O2/c19-13(16-10-3-1-2-4-10)15-8-9-5-6-11-12(7-9)18-14(20)17-11/h5-7,10H,1-4,8H2,(H2,15,16,19)(H2,17,18,20)
InChIKeyXABDKACNEBCPOU-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.60
Rot. Bonds3

About 1-cyclopentyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea

1-cyclopentyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea (PubChem CID 110775425) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
PubChem CID110775425
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-cyclopentyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
SMILESO=C(NCc1ccc2[nH]c(=O)[nH]c2c1)NC1CCCC1
InChIInChI=1S/C14H18N4O2/c19-13(16-10-3-1-2-4-10)15-8-9-5-6-11-12(7-9)18-14(20)17-11/h5-7,10H,1-4,8H2,(H2,15,16,19)(H2,17,18,20)
InChIKeyXABDKACNEBCPOU-UHFFFAOYSA-N
XLogP1.60
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3H-benzimidazol-5-ylmethyl)-3-cyclopentylurea
CID 110775446
1-benzyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 110775421
1-cyclohexyl-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea
CID 3341724
1-cyclohexyl-3-[(2-methyl-3H-benzimidazol-5-yl)methyl]urea
CID 110775448
1-[[4-(aminomethyl)phenyl]methyl]-3-cyclohexylurea
CID 54936547
1-cyclohexyl-3-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
CID 94799266
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-2-phenylacetamide
CID 110785246
4-oxo-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]butanoic acid
CID 82501247
1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclohexylurea
CID 62500632
3-[(cyclohexylcarbamoylamino)methyl]benzoic acid
CID 60894600
1-(3,4-dimethylphenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 86807518
N-[4-[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 131894278

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea?
The IUPAC name of 1-cyclopentyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea (CID 110775425) is 1-cyclopentyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea is O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea?
The InChIKey is XABDKACNEBCPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c19-13(16-10-3-1-2-4-10)15-8-9-5-6-11-12(7-9)18-14(20)17-11/h5-7,10H,1-4,8H2,(H2,15,16,19)(H2,17,18,20).
What are the key properties of 1-cyclopentyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea?
1-cyclopentyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea has a molecular weight of 274.32 g/mol, XLogP of 1.60, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea is sourced from PubChem (CID 110775425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).