1-cyclopropyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]urea

C15H20N4O — CID 47238303

IUPAC1-cyclopropyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]urea
SMILESCc1nc2ccccc2n1CCCNC(=O)NC1CC1
InChIInChI=1S/C15H20N4O/c1-11-17-13-5-2-3-6-14(13)19(11)10-4-9-16-15(20)18-12-7-8-12/h2-3,5-6,12H,4,7-10H2,1H3,(H2,16,18,20)
InChIKeyYVXQBPXSUNBXGF-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.20
Rot. Bonds5

About 1-cyclopropyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]urea

1-cyclopropyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]urea (PubChem CID 47238303) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]urea
PubChem CID47238303
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-cyclopropyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]urea
SMILESCc1nc2ccccc2n1CCCNC(=O)NC1CC1
InChIInChI=1S/C15H20N4O/c1-11-17-13-5-2-3-6-14(13)19(11)10-4-9-16-15(20)18-12-7-8-12/h2-3,5-6,12H,4,7-10H2,1H3,(H2,16,18,20)
InChIKeyYVXQBPXSUNBXGF-UHFFFAOYSA-N
XLogP2.20
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-2-methyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine
CID 110958689
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[3-(2-methylbenzimidazol-1-yl)propyl]urea
CID 111618398
3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 61276333
N-cyclopropyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755737
(2S,4S)-2-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]piperidine-4-carboxamide
CID 120632096
1-(2-ethyl-2-hydroxybutyl)-3-[3-(2-methylbenzimidazol-1-yl)propyl]urea
CID 110909997
N-cyclohexyl-2-[[ethylamino-[3-(2-methylbenzimidazol-1-yl)propylamino]methylidene]amino]acetamide
CID 111352652
1-(1-hydroxybutan-2-yl)-3-[3-(2-methylbenzimidazol-1-yl)propyl]urea
CID 110894452
2-(methylamino)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide;hydrochloride
CID 120703538
ethyl 2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoacetate
CID 110292029
3-(hydroxymethyl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrrolidine-1-carboxamide
CID 111443524
N-[2-[[N'-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111352828

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]urea?
The IUPAC name of 1-cyclopropyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]urea (CID 47238303) is 1-cyclopropyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]urea is Cc1nc2ccccc2n1CCCNC(=O)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]urea?
The InChIKey is YVXQBPXSUNBXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-17-13-5-2-3-6-14(13)19(11)10-4-9-16-15(20)18-12-7-8-12/h2-3,5-6,12H,4,7-10H2,1H3,(H2,16,18,20).
What are the key properties of 1-cyclopropyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]urea?
1-cyclopropyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]urea has a molecular weight of 272.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]urea is sourced from PubChem (CID 47238303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).