1-[5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]butan-1-amine

C16H25N3O — CID 82334395

IUPAC1-[5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]butan-1-amine
SMILESCCCC(N)c1nc2cc(OC)ccc2n1CC(C)C
InChIInChI=1S/C16H25N3O/c1-5-6-13(17)16-18-14-9-12(20-4)7-8-15(14)19(16)10-11(2)3/h7-9,11,13H,5-6,10,17H2,1-4H3
InChIKeyYQEDMQZQNLMRGM-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.50
Rot. Bonds6

About 1-[5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]butan-1-amine

1-[5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]butan-1-amine (PubChem CID 82334395) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]butan-1-amine.

Molecular Properties

Compound Name1-[5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]butan-1-amine
PubChem CID82334395
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]butan-1-amine
SMILESCCCC(N)c1nc2cc(OC)ccc2n1CC(C)C
InChIInChI=1S/C16H25N3O/c1-5-6-13(17)16-18-14-9-12(20-4)7-8-15(14)19(16)10-11(2)3/h7-9,11,13H,5-6,10,17H2,1-4H3
InChIKeyYQEDMQZQNLMRGM-UHFFFAOYSA-N
XLogP3.50
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methoxy-1-prop-2-enylbenzimidazol-2-yl)butan-1-amine
CID 82334391
1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine
CID 82335282
[5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]methanamine
CID 82334328
1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)pentan-1-amine
CID 82335299
1-[5,6-dimethoxy-1-(2-methylpropyl)benzimidazol-2-yl]propan-1-amine
CID 82025003
(1-ethyl-5-methoxybenzimidazol-2-yl)methanamine
CID 80503172
(1S)-1-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 83858310
2-(1-bromopropyl)-1-ethyl-5-methoxybenzimidazole
CID 82334579
1-(5-methyl-1-pentylbenzimidazol-2-yl)butan-1-amine
CID 82333047
2-[2-(1-aminobutyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82333051
(1-butyl-5-methoxybenzimidazol-2-yl)methanamine
CID 82334322
1-[5-methoxy-1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethanamine
CID 82334348

Frequently Asked Questions

What is the IUPAC name of 1-[5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]butan-1-amine?
The IUPAC name of 1-[5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]butan-1-amine (CID 82334395) is 1-[5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]butan-1-amine.
What is the SMILES notation for 1-[5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]butan-1-amine?
The canonical SMILES for 1-[5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]butan-1-amine is CCCC(N)c1nc2cc(OC)ccc2n1CC(C)C.
What is the InChIKey of 1-[5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]butan-1-amine?
The InChIKey is YQEDMQZQNLMRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-5-6-13(17)16-18-14-9-12(20-4)7-8-15(14)19(16)10-11(2)3/h7-9,11,13H,5-6,10,17H2,1-4H3.
What are the key properties of 1-[5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]butan-1-amine?
1-[5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]butan-1-amine has a molecular weight of 275.40 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]butan-1-amine is sourced from PubChem (CID 82334395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).