1-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]cyclohexan-1-amine

C16H23N3O2 — CID 64671048

IUPAC1-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]cyclohexan-1-amine
SMILESCOc1cc2nc(CC3(N)CCCCC3)[nH]c2cc1OC
InChIInChI=1S/C16H23N3O2/c1-20-13-8-11-12(9-14(13)21-2)19-15(18-11)10-16(17)6-4-3-5-7-16/h8-9H,3-7,10,17H2,1-2H3,(H,18,19)
InChIKeyNFWNHEUHEWDTDM-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.78
Rot. Bonds4

About 1-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]cyclohexan-1-amine

1-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]cyclohexan-1-amine (PubChem CID 64671048) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]cyclohexan-1-amine
PubChem CID64671048
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]cyclohexan-1-amine
SMILESCOc1cc2nc(CC3(N)CCCCC3)[nH]c2cc1OC
InChIInChI=1S/C16H23N3O2/c1-20-13-8-11-12(9-14(13)21-2)19-15(18-11)10-16(17)6-4-3-5-7-16/h8-9H,3-7,10,17H2,1-2H3,(H,18,19)
InChIKeyNFWNHEUHEWDTDM-UHFFFAOYSA-N
XLogP2.78
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]cyclohexan-1-amine (CID 64671048) is 1-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]cyclohexan-1-amine is COc1cc2nc(CC3(N)CCCCC3)[nH]c2cc1OC.
What is the InChIKey of 1-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is NFWNHEUHEWDTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-20-13-8-11-12(9-14(13)21-2)19-15(18-11)10-16(17)6-4-3-5-7-16/h8-9H,3-7,10,17H2,1-2H3,(H,18,19).
What are the key properties of 1-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]cyclohexan-1-amine?
1-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 289.38 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64671048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).