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

C13H19N3O — CID 82334328

IUPAC[5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]methanamine
SMILESCOc1ccc2c(c1)nc(CN)n2CC(C)C
InChIInChI=1S/C13H19N3O/c1-9(2)8-16-12-5-4-10(17-3)6-11(12)15-13(16)7-14/h4-6,9H,7-8,14H2,1-3H3
InChIKeyFBOBUXNUEKYHSL-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.16
Rot. Bonds4

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

[5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]methanamine (PubChem CID 82334328) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is [5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]methanamine
PubChem CID82334328
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name[5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]methanamine
SMILESCOc1ccc2c(c1)nc(CN)n2CC(C)C
InChIInChI=1S/C13H19N3O/c1-9(2)8-16-12-5-4-10(17-3)6-11(12)15-13(16)7-14/h4-6,9H,7-8,14H2,1-3H3
InChIKeyFBOBUXNUEKYHSL-UHFFFAOYSA-N
XLogP2.16
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethyl-5-methoxybenzimidazol-2-yl)methanamine
CID 80503172
(1-butyl-5-methoxybenzimidazol-2-yl)methanamine
CID 82334322
5-methoxy-1-(2-methylpropyl)-2-(piperazin-1-ylmethyl)benzimidazole
CID 83967757
1-[5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]butan-1-amine
CID 82334395
3-[1-(2-methylpropyl)-5-propan-2-yloxybenzimidazol-2-yl]propan-1-amine
CID 82335223
[5-methoxy-1-(1-phenylethyl)benzimidazol-2-yl]methanamine
CID 82334325
[1-(2-methylpropyl)benzimidazol-2-yl]methanamine;dihydrochloride
CID 163331235
(5-ethoxy-1-ethylbenzimidazol-2-yl)methanamine
CID 82334703
2-[5-methoxy-1-(3-methylbutyl)benzimidazol-2-yl]acetonitrile
CID 82334510
[5-amino-1-(2-methylpropyl)benzimidazol-2-yl]methanol
CID 62591105
3-(5-methoxy-1-prop-2-ynylbenzimidazol-2-yl)propan-1-amine
CID 82334293
[5-(2-fluoro-4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanamine
CID 102885893

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]methanamine?
The IUPAC name of [5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]methanamine (CID 82334328) is [5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]methanamine.
What is the SMILES notation for [5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]methanamine?
The canonical SMILES for [5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]methanamine is COc1ccc2c(c1)nc(CN)n2CC(C)C.
What is the InChIKey of [5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]methanamine?
The InChIKey is FBOBUXNUEKYHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9(2)8-16-12-5-4-10(17-3)6-11(12)15-13(16)7-14/h4-6,9H,7-8,14H2,1-3H3.
What are the key properties of [5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]methanamine?
[5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]methanamine has a molecular weight of 233.31 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]methanamine is sourced from PubChem (CID 82334328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).