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

C15H23N3O — CID 65285979

IUPAC6-(6-methoxy-1H-benzimidazol-2-yl)heptan-2-amine
SMILESCOc1ccc2nc(C(C)CCCC(C)N)[nH]c2c1
InChIInChI=1S/C15H23N3O/c1-10(5-4-6-11(2)16)15-17-13-8-7-12(19-3)9-14(13)18-15/h7-11H,4-6,16H2,1-3H3,(H,17,18)
InChIKeyDBANFCSXRMYTHK-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.19
Rot. Bonds6

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

6-(6-methoxy-1H-benzimidazol-2-yl)heptan-2-amine (PubChem CID 65285979) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 6-(6-methoxy-1H-benzimidazol-2-yl)heptan-2-amine.

Molecular Properties

Compound Name6-(6-methoxy-1H-benzimidazol-2-yl)heptan-2-amine
PubChem CID65285979
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name6-(6-methoxy-1H-benzimidazol-2-yl)heptan-2-amine
SMILESCOc1ccc2nc(C(C)CCCC(C)N)[nH]c2c1
InChIInChI=1S/C15H23N3O/c1-10(5-4-6-11(2)16)15-17-13-8-7-12(19-3)9-14(13)18-15/h7-11H,4-6,16H2,1-3H3,(H,17,18)
InChIKeyDBANFCSXRMYTHK-UHFFFAOYSA-N
XLogP3.19
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(6-methoxy-1H-benzimidazol-2-yl)heptan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methoxy-2-pentan-2-yl-1H-benzimidazole
CID 65017601
6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]heptan-2-amine
CID 81455999
6-(6-methylsulfonyl-1H-benzimidazol-2-yl)heptan-2-amine
CID 65285595
4-(6-methoxy-1H-benzimidazol-2-yl)butan-2-amine
CID 65018041
(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 67626319
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
2-(6-methoxy-1H-benzimidazol-2-yl)butan-1-amine
CID 65220884
2-heptan-3-yl-6-methoxy-1H-benzimidazole
CID 65019207
1-(6-ethoxy-1H-benzimidazol-2-yl)pentan-1-amine
CID 82331868
(6-methoxy-1H-benzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 89433863
2-[1-(6-methoxy-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol
CID 82336077

Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxy-1H-benzimidazol-2-yl)heptan-2-amine?
The IUPAC name of 6-(6-methoxy-1H-benzimidazol-2-yl)heptan-2-amine (CID 65285979) is 6-(6-methoxy-1H-benzimidazol-2-yl)heptan-2-amine.
What is the SMILES notation for 6-(6-methoxy-1H-benzimidazol-2-yl)heptan-2-amine?
The canonical SMILES for 6-(6-methoxy-1H-benzimidazol-2-yl)heptan-2-amine is COc1ccc2nc(C(C)CCCC(C)N)[nH]c2c1.
What is the InChIKey of 6-(6-methoxy-1H-benzimidazol-2-yl)heptan-2-amine?
The InChIKey is DBANFCSXRMYTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10(5-4-6-11(2)16)15-17-13-8-7-12(19-3)9-14(13)18-15/h7-11H,4-6,16H2,1-3H3,(H,17,18).
What are the key properties of 6-(6-methoxy-1H-benzimidazol-2-yl)heptan-2-amine?
6-(6-methoxy-1H-benzimidazol-2-yl)heptan-2-amine has a molecular weight of 261.37 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxy-1H-benzimidazol-2-yl)heptan-2-amine is sourced from PubChem (CID 65285979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).