1-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]butan-2-amine

C17H26N4 — CID 82311441

IUPAC1-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]butan-2-amine
SMILESCCC(N)Cn1c(C(C)N2CCCC2)nc2ccccc21
InChIInChI=1S/C17H26N4/c1-3-14(18)12-21-16-9-5-4-8-15(16)19-17(21)13(2)20-10-6-7-11-20/h4-5,8-9,13-14H,3,6-7,10-12,18H2,1-2H3
InChIKeyYUJIGXMNUDDEKF-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.93
Rot. Bonds5

About 1-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]butan-2-amine

1-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]butan-2-amine (PubChem CID 82311441) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]butan-2-amine
PubChem CID82311441
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name1-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]butan-2-amine
SMILESCCC(N)Cn1c(C(C)N2CCCC2)nc2ccccc21
InChIInChI=1S/C17H26N4/c1-3-14(18)12-21-16-9-5-4-8-15(16)19-17(21)13(2)20-10-6-7-11-20/h4-5,8-9,13-14H,3,6-7,10-12,18H2,1-2H3
InChIKeyYUJIGXMNUDDEKF-UHFFFAOYSA-N
XLogP2.93
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-2-[(1S)-1-pyrrolidin-1-ylethyl]benzimidazole
CID 92735667
2-[1-(azepan-1-yl)ethyl]-1-butylbenzimidazole
CID 18885259
2-[1-(azepan-1-yl)ethyl]-1-hexylbenzimidazole
CID 18885264
1-[2-[1-(dimethylamino)propyl]benzimidazol-1-yl]butan-2-amine
CID 82311440
3-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile
CID 82311578
1-(2-phenoxyethyl)-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole
CID 40634309
2-[1-(azepan-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]benzimidazole
CID 18885276
1-[4-(4-methoxyphenoxy)butyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole
CID 18885098
2-[(1S)-1-(azepan-1-yl)ethyl]-1-[2-(2-methoxyphenoxy)ethyl]benzimidazole
CID 96571436
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-(3-methoxyphenoxy)ethyl]-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole
CID 96571175

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]butan-2-amine?
The IUPAC name of 1-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]butan-2-amine (CID 82311441) is 1-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]butan-2-amine.
What is the SMILES notation for 1-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]butan-2-amine?
The canonical SMILES for 1-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]butan-2-amine is CCC(N)Cn1c(C(C)N2CCCC2)nc2ccccc21.
What is the InChIKey of 1-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]butan-2-amine?
The InChIKey is YUJIGXMNUDDEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-3-14(18)12-21-16-9-5-4-8-15(16)19-17(21)13(2)20-10-6-7-11-20/h4-5,8-9,13-14H,3,6-7,10-12,18H2,1-2H3.
What are the key properties of 1-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]butan-2-amine?
1-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]butan-2-amine has a molecular weight of 286.42 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]butan-2-amine is sourced from PubChem (CID 82311441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).