1-cyclopentyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea;formic acid

C17H24N4O3 — CID 154903685

IUPAC1-cyclopentyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea;formic acid
SMILESCn1c(CCNC(=O)NC2CCCC2)nc2ccccc21.O=CO
InChIInChI=1S/C16H22N4O.CH2O2/c1-20-14-9-5-4-8-13(14)19-15(20)10-11-17-16(21)18-12-6-2-3-7-12;2-1-3/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H2,17,18,21);1H,(H,2,3)
InChIKeyQYHZVCKPPIDFOX-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.06
Rot. Bonds4

About 1-cyclopentyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea;formic acid

1-cyclopentyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea;formic acid (PubChem CID 154903685) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea;formic acid.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea;formic acid
PubChem CID154903685
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name1-cyclopentyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea;formic acid
SMILESCn1c(CCNC(=O)NC2CCCC2)nc2ccccc21.O=CO
InChIInChI=1S/C16H22N4O.CH2O2/c1-20-14-9-5-4-8-13(14)19-15(20)10-11-17-16(21)18-12-6-2-3-7-12;2-1-3/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H2,17,18,21);1H,(H,2,3)
InChIKeyQYHZVCKPPIDFOX-UHFFFAOYSA-N
XLogP2.06
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(cyclohexylcarbamoylamino)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 60542277
N-cyclopentyl-2-[3-(1-methylbenzimidazol-2-yl)propylamino]propanamide
CID 50951475
1-tert-butyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea
CID 110747230
5-methyl-N-[(1R,2S)-2-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]cyclopentyl]pyrazine-2-carboxamide
CID 91925612
2-(cyclopropylmethylsulfanyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 90648634
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide
CID 91918229
1-cyclopentyl-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79753927
1-cyclohexyl-3-[2-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)ethyl]urea
CID 46331537
1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 115782360
1-cyclopentyl-3-[2-(1-methylindol-3-yl)ethyl]urea
CID 110748890
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]benzamide
CID 95707440
phenyl N-[2-(1-methylbenzimidazol-2-yl)ethyl]carbamate
CID 110711959

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea;formic acid?
The IUPAC name of 1-cyclopentyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea;formic acid (CID 154903685) is 1-cyclopentyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea;formic acid.
What is the SMILES notation for 1-cyclopentyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea;formic acid?
The canonical SMILES for 1-cyclopentyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea;formic acid is Cn1c(CCNC(=O)NC2CCCC2)nc2ccccc21.O=CO.
What is the InChIKey of 1-cyclopentyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea;formic acid?
The InChIKey is QYHZVCKPPIDFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O.CH2O2/c1-20-14-9-5-4-8-13(14)19-15(20)10-11-17-16(21)18-12-6-2-3-7-12;2-1-3/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H2,17,18,21);1H,(H,2,3).
What are the key properties of 1-cyclopentyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea;formic acid?
1-cyclopentyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea;formic acid has a molecular weight of 332.40 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea;formic acid is sourced from PubChem (CID 154903685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).