1-butyl-2-[(1S)-1-pyrrolidin-1-ylethyl]benzimidazole

C17H25N3 — CID 92735667

IUPAC1-butyl-2-[(1S)-1-pyrrolidin-1-ylethyl]benzimidazole
SMILESCCCCn1c([C@H](C)N2CCCC2)nc2ccccc21
InChIInChI=1S/C17H25N3/c1-3-4-13-20-16-10-6-5-9-15(16)18-17(20)14(2)19-11-7-8-12-19/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3/t14-/m0/s1
InChIKeyNSCOTBOOBOWWRH-AWEZNQCLSA-N
MW271.41 g/mol
LogP3.99
Rot. Bonds5

About 1-butyl-2-[(1S)-1-pyrrolidin-1-ylethyl]benzimidazole

1-butyl-2-[(1S)-1-pyrrolidin-1-ylethyl]benzimidazole (PubChem CID 92735667) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-butyl-2-[(1S)-1-pyrrolidin-1-ylethyl]benzimidazole.

Molecular Properties

Compound Name1-butyl-2-[(1S)-1-pyrrolidin-1-ylethyl]benzimidazole
PubChem CID92735667
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-butyl-2-[(1S)-1-pyrrolidin-1-ylethyl]benzimidazole
SMILESCCCCn1c([C@H](C)N2CCCC2)nc2ccccc21
InChIInChI=1S/C17H25N3/c1-3-4-13-20-16-10-6-5-9-15(16)18-17(20)14(2)19-11-7-8-12-19/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3/t14-/m0/s1
InChIKeyNSCOTBOOBOWWRH-AWEZNQCLSA-N
XLogP3.99
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(azepan-1-yl)ethyl]-1-butylbenzimidazole
CID 18885259
2-[1-(azepan-1-yl)ethyl]-1-hexylbenzimidazole
CID 18885264
3-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile
CID 82311578
1-[4-(4-methoxyphenoxy)butyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole
CID 18885098
1-[4-(4-ethylphenoxy)butyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole
CID 18885099
2-[1-(azepan-1-yl)ethyl]-1-[3-(4-ethylphenoxy)propyl]benzimidazole
CID 18885329
1-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]butan-2-amine
CID 82311441
1-(2-phenoxyethyl)-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole
CID 40634309
3-[2-(1-morpholin-4-ylethyl)benzimidazol-1-yl]propan-1-amine
CID 82310821
1-[4-(2,5-dimethylphenoxy)butyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole
CID 18885088
2-[(1S)-1-(azepan-1-yl)ethyl]-1-[2-(2-methoxyphenoxy)ethyl]benzimidazole
CID 96571436
1-[3-(2-prop-2-enylphenoxy)propyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole
CID 18885072

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-[(1S)-1-pyrrolidin-1-ylethyl]benzimidazole?
The IUPAC name of 1-butyl-2-[(1S)-1-pyrrolidin-1-ylethyl]benzimidazole (CID 92735667) is 1-butyl-2-[(1S)-1-pyrrolidin-1-ylethyl]benzimidazole.
What is the SMILES notation for 1-butyl-2-[(1S)-1-pyrrolidin-1-ylethyl]benzimidazole?
The canonical SMILES for 1-butyl-2-[(1S)-1-pyrrolidin-1-ylethyl]benzimidazole is CCCCn1c([C@H](C)N2CCCC2)nc2ccccc21.
What is the InChIKey of 1-butyl-2-[(1S)-1-pyrrolidin-1-ylethyl]benzimidazole?
The InChIKey is NSCOTBOOBOWWRH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-4-13-20-16-10-6-5-9-15(16)18-17(20)14(2)19-11-7-8-12-19/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3/t14-/m0/s1.
What are the key properties of 1-butyl-2-[(1S)-1-pyrrolidin-1-ylethyl]benzimidazole?
1-butyl-2-[(1S)-1-pyrrolidin-1-ylethyl]benzimidazole has a molecular weight of 271.41 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[(1S)-1-pyrrolidin-1-ylethyl]benzimidazole is sourced from PubChem (CID 92735667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).