4-(1-methylbenzimidazol-5-yl)butan-2-amine

C12H17N3 — CID 82491785

IUPAC4-(1-methylbenzimidazol-5-yl)butan-2-amine
SMILESCC(N)CCc1ccc2c(c1)ncn2C
InChIInChI=1S/C12H17N3/c1-9(13)3-4-10-5-6-12-11(7-10)14-8-15(12)2/h5-9H,3-4,13H2,1-2H3
InChIKeyZDJWQASEHXYIPZ-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.85
Rot. Bonds3

About 4-(1-methylbenzimidazol-5-yl)butan-2-amine

4-(1-methylbenzimidazol-5-yl)butan-2-amine (PubChem CID 82491785) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 4-(1-methylbenzimidazol-5-yl)butan-2-amine.

Molecular Properties

Compound Name4-(1-methylbenzimidazol-5-yl)butan-2-amine
PubChem CID82491785
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name4-(1-methylbenzimidazol-5-yl)butan-2-amine
SMILESCC(N)CCc1ccc2c(c1)ncn2C
InChIInChI=1S/C12H17N3/c1-9(13)3-4-10-5-6-12-11(7-10)14-8-15(12)2/h5-9H,3-4,13H2,1-2H3
InChIKeyZDJWQASEHXYIPZ-UHFFFAOYSA-N
XLogP1.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylbenzimidazol-5-yl)butan-2-amine?
The IUPAC name of 4-(1-methylbenzimidazol-5-yl)butan-2-amine (CID 82491785) is 4-(1-methylbenzimidazol-5-yl)butan-2-amine.
What is the SMILES notation for 4-(1-methylbenzimidazol-5-yl)butan-2-amine?
The canonical SMILES for 4-(1-methylbenzimidazol-5-yl)butan-2-amine is CC(N)CCc1ccc2c(c1)ncn2C.
What is the InChIKey of 4-(1-methylbenzimidazol-5-yl)butan-2-amine?
The InChIKey is ZDJWQASEHXYIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-9(13)3-4-10-5-6-12-11(7-10)14-8-15(12)2/h5-9H,3-4,13H2,1-2H3.
What are the key properties of 4-(1-methylbenzimidazol-5-yl)butan-2-amine?
4-(1-methylbenzimidazol-5-yl)butan-2-amine has a molecular weight of 203.29 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylbenzimidazol-5-yl)butan-2-amine is sourced from PubChem (CID 82491785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).