(2-cyclooctyl-1-methylbenzimidazol-5-yl)methanamine

C17H25N3 — CID 65040386

IUPAC(2-cyclooctyl-1-methylbenzimidazol-5-yl)methanamine
SMILESCn1c(C2CCCCCCC2)nc2cc(CN)ccc21
InChIInChI=1S/C17H25N3/c1-20-16-10-9-13(12-18)11-15(16)19-17(20)14-7-5-3-2-4-6-8-14/h9-11,14H,2-8,12,18H2,1H3
InChIKeySHOANMFMSWICQJ-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.86
Rot. Bonds2

About (2-cyclooctyl-1-methylbenzimidazol-5-yl)methanamine

(2-cyclooctyl-1-methylbenzimidazol-5-yl)methanamine (PubChem CID 65040386) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is (2-cyclooctyl-1-methylbenzimidazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-cyclooctyl-1-methylbenzimidazol-5-yl)methanamine
PubChem CID65040386
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name(2-cyclooctyl-1-methylbenzimidazol-5-yl)methanamine
SMILESCn1c(C2CCCCCCC2)nc2cc(CN)ccc21
InChIInChI=1S/C17H25N3/c1-20-16-10-9-13(12-18)11-15(16)19-17(20)14-7-5-3-2-4-6-8-14/h9-11,14H,2-8,12,18H2,1H3
InChIKeySHOANMFMSWICQJ-UHFFFAOYSA-N
XLogP3.86
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-cyclooctyl-1-methylbenzimidazol-5-yl)methanamine?
The IUPAC name of (2-cyclooctyl-1-methylbenzimidazol-5-yl)methanamine (CID 65040386) is (2-cyclooctyl-1-methylbenzimidazol-5-yl)methanamine.
What is the SMILES notation for (2-cyclooctyl-1-methylbenzimidazol-5-yl)methanamine?
The canonical SMILES for (2-cyclooctyl-1-methylbenzimidazol-5-yl)methanamine is Cn1c(C2CCCCCCC2)nc2cc(CN)ccc21.
What is the InChIKey of (2-cyclooctyl-1-methylbenzimidazol-5-yl)methanamine?
The InChIKey is SHOANMFMSWICQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-20-16-10-9-13(12-18)11-15(16)19-17(20)14-7-5-3-2-4-6-8-14/h9-11,14H,2-8,12,18H2,1H3.
What are the key properties of (2-cyclooctyl-1-methylbenzimidazol-5-yl)methanamine?
(2-cyclooctyl-1-methylbenzimidazol-5-yl)methanamine has a molecular weight of 271.41 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclooctyl-1-methylbenzimidazol-5-yl)methanamine is sourced from PubChem (CID 65040386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).