2-propyl-1-(3-pyrrolidin-2-ylpropyl)benzimidazole

C17H25N3 — CID 115970770

IUPAC2-propyl-1-(3-pyrrolidin-2-ylpropyl)benzimidazole
SMILESCCCc1nc2ccccc2n1CCCC1CCCN1
InChIInChI=1S/C17H25N3/c1-2-7-17-19-15-10-3-4-11-16(15)20(17)13-6-9-14-8-5-12-18-14/h3-4,10-11,14,18H,2,5-9,12-13H2,1H3
InChIKeyNFFRRAMWHWZUSC-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.52
Rot. Bonds6

About 2-propyl-1-(3-pyrrolidin-2-ylpropyl)benzimidazole

2-propyl-1-(3-pyrrolidin-2-ylpropyl)benzimidazole (PubChem CID 115970770) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-propyl-1-(3-pyrrolidin-2-ylpropyl)benzimidazole.

Molecular Properties

Compound Name2-propyl-1-(3-pyrrolidin-2-ylpropyl)benzimidazole
PubChem CID115970770
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-propyl-1-(3-pyrrolidin-2-ylpropyl)benzimidazole
SMILESCCCc1nc2ccccc2n1CCCC1CCCN1
InChIInChI=1S/C17H25N3/c1-2-7-17-19-15-10-3-4-11-16(15)20(17)13-6-9-14-8-5-12-18-14/h3-4,10-11,14,18H,2,5-9,12-13H2,1H3
InChIKeyNFFRRAMWHWZUSC-UHFFFAOYSA-N
XLogP3.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-piperidin-2-ylethyl)-1-propylbenzimidazole
CID 62218069
1-[2-(azetidin-3-yl)ethyl]-2-propylbenzimidazole
CID 107391401
1-[2-(oxolan-2-yl)ethyl]-2-propylbenzimidazole
CID 116626992
2-[2-(2-propylbenzimidazol-1-yl)ethyl]cyclopentan-1-amine
CID 115970712
N-[2-(2-propylbenzimidazol-1-yl)ethyl]cyclopentanamine
CID 115971115
1-(piperidin-4-ylmethyl)-2-propylbenzimidazole
CID 82149668
N-propan-2-yl-3-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632150
1-pent-4-ynyl-2-propylbenzimidazole
CID 113374435
1-(3-ethylsulfonylpropyl)-2-propylbenzimidazole
CID 116626944
1-ethyl-2-[2-(5-methylpiperidin-2-yl)ethyl]benzimidazole
CID 81318771
4-(2-propylbenzimidazol-1-yl)butanoic acid
CID 46784588
2-heptyl-1-nonylbenzimidazole
CID 139787766

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1-(3-pyrrolidin-2-ylpropyl)benzimidazole?
The IUPAC name of 2-propyl-1-(3-pyrrolidin-2-ylpropyl)benzimidazole (CID 115970770) is 2-propyl-1-(3-pyrrolidin-2-ylpropyl)benzimidazole.
What is the SMILES notation for 2-propyl-1-(3-pyrrolidin-2-ylpropyl)benzimidazole?
The canonical SMILES for 2-propyl-1-(3-pyrrolidin-2-ylpropyl)benzimidazole is CCCc1nc2ccccc2n1CCCC1CCCN1.
What is the InChIKey of 2-propyl-1-(3-pyrrolidin-2-ylpropyl)benzimidazole?
The InChIKey is NFFRRAMWHWZUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-2-7-17-19-15-10-3-4-11-16(15)20(17)13-6-9-14-8-5-12-18-14/h3-4,10-11,14,18H,2,5-9,12-13H2,1H3.
What are the key properties of 2-propyl-1-(3-pyrrolidin-2-ylpropyl)benzimidazole?
2-propyl-1-(3-pyrrolidin-2-ylpropyl)benzimidazole has a molecular weight of 271.41 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1-(3-pyrrolidin-2-ylpropyl)benzimidazole is sourced from PubChem (CID 115970770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).