2-heptan-3-yl-6-methoxy-1H-benzimidazole

C15H22N2O — CID 65019207

IUPAC2-heptan-3-yl-6-methoxy-1H-benzimidazole
SMILESCCCCC(CC)c1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C15H22N2O/c1-4-6-7-11(5-2)15-16-13-9-8-12(18-3)10-14(13)17-15/h8-11H,4-7H2,1-3H3,(H,16,17)
InChIKeyATXOPGNHHJMHKR-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.26
Rot. Bonds6

About 2-heptan-3-yl-6-methoxy-1H-benzimidazole

2-heptan-3-yl-6-methoxy-1H-benzimidazole (PubChem CID 65019207) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-heptan-3-yl-6-methoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-heptan-3-yl-6-methoxy-1H-benzimidazole
PubChem CID65019207
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-heptan-3-yl-6-methoxy-1H-benzimidazole
SMILESCCCCC(CC)c1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C15H22N2O/c1-4-6-7-11(5-2)15-16-13-9-8-12(18-3)10-14(13)17-15/h8-11H,4-7H2,1-3H3,(H,16,17)
InChIKeyATXOPGNHHJMHKR-UHFFFAOYSA-N
XLogP4.26
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-methoxy-1H-benzimidazol-2-yl)butan-1-amine
CID 65220884
2-heptan-3-yl-3H-benzimidazol-5-amine
CID 43125587
6-methoxy-2-pentan-2-yl-1H-benzimidazole
CID 65017601
(2-heptan-3-yl-3H-benzimidazol-5-yl)methanamine
CID 79004401
5,6-difluoro-2-heptan-3-yl-1H-benzimidazole
CID 63399395
1-(6-ethoxy-1H-benzimidazol-2-yl)pentan-1-amine
CID 82331868
6-(6-methoxy-1H-benzimidazol-2-yl)heptan-2-amine
CID 65285979
1-(6-propoxy-1H-benzimidazol-2-yl)pentan-1-amine
CID 82331899
2-hexyl-6-methoxy-1H-benzimidazole
CID 114753150
2-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)ethanamine
CID 81078800
(6-methoxy-1H-benzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 89433863
(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethanamine
CID 121471175

Frequently Asked Questions

What is the IUPAC name of 2-heptan-3-yl-6-methoxy-1H-benzimidazole?
The IUPAC name of 2-heptan-3-yl-6-methoxy-1H-benzimidazole (CID 65019207) is 2-heptan-3-yl-6-methoxy-1H-benzimidazole.
What is the SMILES notation for 2-heptan-3-yl-6-methoxy-1H-benzimidazole?
The canonical SMILES for 2-heptan-3-yl-6-methoxy-1H-benzimidazole is CCCCC(CC)c1nc2ccc(OC)cc2[nH]1.
What is the InChIKey of 2-heptan-3-yl-6-methoxy-1H-benzimidazole?
The InChIKey is ATXOPGNHHJMHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-6-7-11(5-2)15-16-13-9-8-12(18-3)10-14(13)17-15/h8-11H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 2-heptan-3-yl-6-methoxy-1H-benzimidazole?
2-heptan-3-yl-6-methoxy-1H-benzimidazole has a molecular weight of 246.35 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptan-3-yl-6-methoxy-1H-benzimidazole is sourced from PubChem (CID 65019207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).