1-hexyl-2-pyrrolidin-2-ylbenzimidazole

C17H25N3 — CID 175346334

IUPAC1-hexyl-2-pyrrolidin-2-ylbenzimidazole
SMILESCCCCCCn1c(C2CCCN2)nc2ccccc21
InChIInChI=1S/C17H25N3/c1-2-3-4-7-13-20-16-11-6-5-9-14(16)19-17(20)15-10-8-12-18-15/h5-6,9,11,15,18H,2-4,7-8,10,12-13H2,1H3
InChIKeyXEWQQZPPMHLHDU-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.04
Rot. Bonds6

About 1-hexyl-2-pyrrolidin-2-ylbenzimidazole

1-hexyl-2-pyrrolidin-2-ylbenzimidazole (PubChem CID 175346334) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-hexyl-2-pyrrolidin-2-ylbenzimidazole.

Molecular Properties

Compound Name1-hexyl-2-pyrrolidin-2-ylbenzimidazole
PubChem CID175346334
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-hexyl-2-pyrrolidin-2-ylbenzimidazole
SMILESCCCCCCn1c(C2CCCN2)nc2ccccc21
InChIInChI=1S/C17H25N3/c1-2-3-4-7-13-20-16-11-6-5-9-14(16)19-17(20)15-10-8-12-18-15/h5-6,9,11,15,18H,2-4,7-8,10,12-13H2,1H3
InChIKeyXEWQQZPPMHLHDU-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylpiperidin-2-yl)-1-propylbenzimidazole
CID 114422438
N-butyl-N-[3-(5-chloro-2-pyrrolidin-2-ylbenzimidazol-1-yl)propyl]butan-1-amine
CID 46309726
2-piperidin-2-yl-1-(2,2,2-trifluoroethyl)benzimidazole
CID 62388125
4-(1-hexadecylbenzimidazol-2-yl)-1-methylpyrrolidin-2-one
CID 17002249
1-[(2S)-2-(1-pentylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 92721055
1-cyclopentyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16965220
1-cyclohexyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17005289
1-ethyl-4-(1-hexadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002391
1-ethyl-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002392
2-heptyl-1-nonylbenzimidazole
CID 139787766
2-nonyl-1-undecylbenzimidazole
CID 139787757
2-propyl-1-(3-pyrrolidin-2-ylpropyl)benzimidazole
CID 115970770

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-2-pyrrolidin-2-ylbenzimidazole?
The IUPAC name of 1-hexyl-2-pyrrolidin-2-ylbenzimidazole (CID 175346334) is 1-hexyl-2-pyrrolidin-2-ylbenzimidazole.
What is the SMILES notation for 1-hexyl-2-pyrrolidin-2-ylbenzimidazole?
The canonical SMILES for 1-hexyl-2-pyrrolidin-2-ylbenzimidazole is CCCCCCn1c(C2CCCN2)nc2ccccc21.
What is the InChIKey of 1-hexyl-2-pyrrolidin-2-ylbenzimidazole?
The InChIKey is XEWQQZPPMHLHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-2-3-4-7-13-20-16-11-6-5-9-14(16)19-17(20)15-10-8-12-18-15/h5-6,9,11,15,18H,2-4,7-8,10,12-13H2,1H3.
What are the key properties of 1-hexyl-2-pyrrolidin-2-ylbenzimidazole?
1-hexyl-2-pyrrolidin-2-ylbenzimidazole has a molecular weight of 271.41 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2-pyrrolidin-2-ylbenzimidazole is sourced from PubChem (CID 175346334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).