2-(2-butylbenzimidazol-1-yl)propan-1-amine

C14H21N3 — CID 82144544

IUPAC2-(2-butylbenzimidazol-1-yl)propan-1-amine
SMILESCCCCc1nc2ccccc2n1C(C)CN
InChIInChI=1S/C14H21N3/c1-3-4-9-14-16-12-7-5-6-8-13(12)17(14)11(2)10-15/h5-8,11H,3-4,9-10,15H2,1-2H3
InChIKeyXUTZTOBJHFPGCC-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.90
Rot. Bonds5

About 2-(2-butylbenzimidazol-1-yl)propan-1-amine

2-(2-butylbenzimidazol-1-yl)propan-1-amine (PubChem CID 82144544) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(2-butylbenzimidazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2-butylbenzimidazol-1-yl)propan-1-amine
PubChem CID82144544
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-(2-butylbenzimidazol-1-yl)propan-1-amine
SMILESCCCCc1nc2ccccc2n1C(C)CN
InChIInChI=1S/C14H21N3/c1-3-4-9-14-16-12-7-5-6-8-13(12)17(14)11(2)10-15/h5-8,11H,3-4,9-10,15H2,1-2H3
InChIKeyXUTZTOBJHFPGCC-UHFFFAOYSA-N
XLogP2.90
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(1-aminopropan-2-yl)benzimidazol-2-yl]methyl]-N-methylbutan-1-amine
CID 82311321
2-[1-[(2R)-butan-2-yl]benzimidazol-2-yl]ethanamine
CID 51970586
2-(2-butyl-5,6-dichlorobenzimidazol-1-yl)propan-1-amine
CID 82145993
2-(2-butylbenzimidazol-1-yl)propanoic acid;hydrochloride
CID 75530812
N-ethyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632434
N-methyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632401
3,3-dimethyl-2-(2-propylbenzimidazol-1-yl)butan-1-amine
CID 112632091
2-(5-methylthiophen-2-yl)-2-(2-propylbenzimidazol-1-yl)ethanamine
CID 115970610
1-heptan-2-yl-2-(2,2,2-trifluoroethyl)benzimidazole
CID 123158363
2-(2-chloroethyl)-1-(3-ethylpentan-2-yl)benzimidazole
CID 63838567
N-methyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 43152019
2-(2-ethylbenzimidazol-1-yl)-2-phenylethanamine
CID 63105228

Frequently Asked Questions

What is the IUPAC name of 2-(2-butylbenzimidazol-1-yl)propan-1-amine?
The IUPAC name of 2-(2-butylbenzimidazol-1-yl)propan-1-amine (CID 82144544) is 2-(2-butylbenzimidazol-1-yl)propan-1-amine.
What is the SMILES notation for 2-(2-butylbenzimidazol-1-yl)propan-1-amine?
The canonical SMILES for 2-(2-butylbenzimidazol-1-yl)propan-1-amine is CCCCc1nc2ccccc2n1C(C)CN.
What is the InChIKey of 2-(2-butylbenzimidazol-1-yl)propan-1-amine?
The InChIKey is XUTZTOBJHFPGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-3-4-9-14-16-12-7-5-6-8-13(12)17(14)11(2)10-15/h5-8,11H,3-4,9-10,15H2,1-2H3.
What are the key properties of 2-(2-butylbenzimidazol-1-yl)propan-1-amine?
2-(2-butylbenzimidazol-1-yl)propan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butylbenzimidazol-1-yl)propan-1-amine is sourced from PubChem (CID 82144544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).