2-cyclopropyl-1-(3-phenoxypropyl)benzimidazole;hydrochloride

C19H21ClN2O — CID 16615456

IUPAC2-cyclopropyl-1-(3-phenoxypropyl)benzimidazole;hydrochloride
SMILESCl.c1ccc(OCCCn2c(C3CC3)nc3ccccc32)cc1
InChIInChI=1S/C19H20N2O.ClH/c1-2-7-16(8-3-1)22-14-6-13-21-18-10-5-4-9-17(18)20-19(21)15-11-12-15;/h1-5,7-10,15H,6,11-14H2;1H
InChIKeyFNODXNCFBTWAMQ-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.80
Rot. Bonds6

About 2-cyclopropyl-1-(3-phenoxypropyl)benzimidazole;hydrochloride

2-cyclopropyl-1-(3-phenoxypropyl)benzimidazole;hydrochloride (PubChem CID 16615456) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3-phenoxypropyl)benzimidazole;hydrochloride.

Molecular Properties

Compound Name2-cyclopropyl-1-(3-phenoxypropyl)benzimidazole;hydrochloride
PubChem CID16615456
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name2-cyclopropyl-1-(3-phenoxypropyl)benzimidazole;hydrochloride
SMILESCl.c1ccc(OCCCn2c(C3CC3)nc3ccccc32)cc1
InChIInChI=1S/C19H20N2O.ClH/c1-2-7-16(8-3-1)22-14-6-13-21-18-10-5-4-9-17(18)20-19(21)15-11-12-15;/h1-5,7-10,15H,6,11-14H2;1H
InChIKeyFNODXNCFBTWAMQ-UHFFFAOYSA-N
XLogP4.80
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-1-(4-phenoxybutyl)benzimidazole
CID 18878621
2-cyclopropyl-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16996713
2-cyclopropyl-1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazole
CID 16996717
2-[(2S)-oxolan-2-yl]-1-(3-phenoxypropyl)benzimidazole
CID 51430251
2-cyclohexyl-1-[3-(3-methoxyphenoxy)propyl]benzimidazole
CID 16996621
1-[3-(4-chloro-3-methylphenoxy)propyl]-2-cyclopropylbenzimidazole
CID 18878618
1-cyclohexyl-4-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17005345
1-[3-(4-butan-2-ylphenoxy)propyl]-2-cyclohexylbenzimidazole
CID 16996626
1-[(2R)-2-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 92735897
(4S)-1-(4-ethoxyphenyl)-4-[1-(3-phenoxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40775584
2-cyclopentyl-1-(3-phenylpropyl)benzimidazole
CID 134083928
2-cyclopropyl-1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazole
CID 18878595

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3-phenoxypropyl)benzimidazole;hydrochloride?
The IUPAC name of 2-cyclopropyl-1-(3-phenoxypropyl)benzimidazole;hydrochloride (CID 16615456) is 2-cyclopropyl-1-(3-phenoxypropyl)benzimidazole;hydrochloride.
What is the SMILES notation for 2-cyclopropyl-1-(3-phenoxypropyl)benzimidazole;hydrochloride?
The canonical SMILES for 2-cyclopropyl-1-(3-phenoxypropyl)benzimidazole;hydrochloride is Cl.c1ccc(OCCCn2c(C3CC3)nc3ccccc32)cc1.
What is the InChIKey of 2-cyclopropyl-1-(3-phenoxypropyl)benzimidazole;hydrochloride?
The InChIKey is FNODXNCFBTWAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O.ClH/c1-2-7-16(8-3-1)22-14-6-13-21-18-10-5-4-9-17(18)20-19(21)15-11-12-15;/h1-5,7-10,15H,6,11-14H2;1H.
What are the key properties of 2-cyclopropyl-1-(3-phenoxypropyl)benzimidazole;hydrochloride?
2-cyclopropyl-1-(3-phenoxypropyl)benzimidazole;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3-phenoxypropyl)benzimidazole;hydrochloride is sourced from PubChem (CID 16615456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).