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

C12H17N3O — CID 65220884

IUPAC2-(6-methoxy-1H-benzimidazol-2-yl)butan-1-amine
SMILESCCC(CN)c1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C12H17N3O/c1-3-8(7-13)12-14-10-5-4-9(16-2)6-11(10)15-12/h4-6,8H,3,7,13H2,1-2H3,(H,14,15)
InChIKeyRDATXKPVTBKFRM-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.02
Rot. Bonds4

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

2-(6-methoxy-1H-benzimidazol-2-yl)butan-1-amine (PubChem CID 65220884) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-(6-methoxy-1H-benzimidazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-(6-methoxy-1H-benzimidazol-2-yl)butan-1-amine
PubChem CID65220884
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-(6-methoxy-1H-benzimidazol-2-yl)butan-1-amine
SMILESCCC(CN)c1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C12H17N3O/c1-3-8(7-13)12-14-10-5-4-9(16-2)6-11(10)15-12/h4-6,8H,3,7,13H2,1-2H3,(H,14,15)
InChIKeyRDATXKPVTBKFRM-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-heptan-3-yl-6-methoxy-1H-benzimidazole
CID 65019207
2-(6-chloro-1H-benzimidazol-2-yl)butan-1-amine
CID 65221447
6-methoxy-2-pentan-2-yl-1H-benzimidazole
CID 65017601
2-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)ethanamine
CID 81078800
(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethanamine
CID 121471175
(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 67626319
(6-methoxy-1H-benzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 89433863
6-(6-methoxy-1H-benzimidazol-2-yl)heptan-2-amine
CID 65285979
1-(6-methoxy-1H-benzimidazol-2-yl)-N,N-bis(prop-2-enyl)propan-1-amine
CID 82336369
4-[1-(6-methoxy-1H-benzimidazol-2-yl)propyl]morpholine
CID 82336375
6-methoxy-2-propylsulfanyl-1H-benzimidazole
CID 2650025
1-(6-propoxy-1H-benzimidazol-2-yl)propan-1-amine
CID 82331898

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1H-benzimidazol-2-yl)butan-1-amine?
The IUPAC name of 2-(6-methoxy-1H-benzimidazol-2-yl)butan-1-amine (CID 65220884) is 2-(6-methoxy-1H-benzimidazol-2-yl)butan-1-amine.
What is the SMILES notation for 2-(6-methoxy-1H-benzimidazol-2-yl)butan-1-amine?
The canonical SMILES for 2-(6-methoxy-1H-benzimidazol-2-yl)butan-1-amine is CCC(CN)c1nc2ccc(OC)cc2[nH]1.
What is the InChIKey of 2-(6-methoxy-1H-benzimidazol-2-yl)butan-1-amine?
The InChIKey is RDATXKPVTBKFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-3-8(7-13)12-14-10-5-4-9(16-2)6-11(10)15-12/h4-6,8H,3,7,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(6-methoxy-1H-benzimidazol-2-yl)butan-1-amine?
2-(6-methoxy-1H-benzimidazol-2-yl)butan-1-amine has a molecular weight of 219.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1H-benzimidazol-2-yl)butan-1-amine is sourced from PubChem (CID 65220884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).