4-(6-methoxy-1H-benzimidazol-2-yl)butan-2-amine

C12H17N3O — CID 65018041

IUPAC4-(6-methoxy-1H-benzimidazol-2-yl)butan-2-amine
SMILESCOc1ccc2nc(CCC(C)N)[nH]c2c1
InChIInChI=1S/C12H17N3O/c1-8(13)3-6-12-14-10-5-4-9(16-2)7-11(10)15-12/h4-5,7-8H,3,6,13H2,1-2H3,(H,14,15)
InChIKeyZVTMRIUBPNNCES-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.85
Rot. Bonds4

About 4-(6-methoxy-1H-benzimidazol-2-yl)butan-2-amine

4-(6-methoxy-1H-benzimidazol-2-yl)butan-2-amine (PubChem CID 65018041) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-(6-methoxy-1H-benzimidazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name4-(6-methoxy-1H-benzimidazol-2-yl)butan-2-amine
PubChem CID65018041
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name4-(6-methoxy-1H-benzimidazol-2-yl)butan-2-amine
SMILESCOc1ccc2nc(CCC(C)N)[nH]c2c1
InChIInChI=1S/C12H17N3O/c1-8(13)3-6-12-14-10-5-4-9(16-2)7-11(10)15-12/h4-5,7-8H,3,6,13H2,1-2H3,(H,14,15)
InChIKeyZVTMRIUBPNNCES-UHFFFAOYSA-N
XLogP1.85
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-1H-benzimidazol-2-yl)butan-2-amine?
The IUPAC name of 4-(6-methoxy-1H-benzimidazol-2-yl)butan-2-amine (CID 65018041) is 4-(6-methoxy-1H-benzimidazol-2-yl)butan-2-amine.
What is the SMILES notation for 4-(6-methoxy-1H-benzimidazol-2-yl)butan-2-amine?
The canonical SMILES for 4-(6-methoxy-1H-benzimidazol-2-yl)butan-2-amine is COc1ccc2nc(CCC(C)N)[nH]c2c1.
What is the InChIKey of 4-(6-methoxy-1H-benzimidazol-2-yl)butan-2-amine?
The InChIKey is ZVTMRIUBPNNCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8(13)3-6-12-14-10-5-4-9(16-2)7-11(10)15-12/h4-5,7-8H,3,6,13H2,1-2H3,(H,14,15).
What are the key properties of 4-(6-methoxy-1H-benzimidazol-2-yl)butan-2-amine?
4-(6-methoxy-1H-benzimidazol-2-yl)butan-2-amine has a molecular weight of 219.29 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-1H-benzimidazol-2-yl)butan-2-amine is sourced from PubChem (CID 65018041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).