(2-cycloheptyl-1-methylbenzimidazol-4-yl)methanamine

C16H23N3 — CID 104721457

IUPAC(2-cycloheptyl-1-methylbenzimidazol-4-yl)methanamine
SMILESCn1c(C2CCCCCC2)nc2c(CN)cccc21
InChIInChI=1S/C16H23N3/c1-19-14-10-6-9-13(11-17)15(14)18-16(19)12-7-4-2-3-5-8-12/h6,9-10,12H,2-5,7-8,11,17H2,1H3
InChIKeyROUPHHWUOCQHNF-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.47
Rot. Bonds2

About (2-cycloheptyl-1-methylbenzimidazol-4-yl)methanamine

(2-cycloheptyl-1-methylbenzimidazol-4-yl)methanamine (PubChem CID 104721457) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is (2-cycloheptyl-1-methylbenzimidazol-4-yl)methanamine.

Molecular Properties

Compound Name(2-cycloheptyl-1-methylbenzimidazol-4-yl)methanamine
PubChem CID104721457
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name(2-cycloheptyl-1-methylbenzimidazol-4-yl)methanamine
SMILESCn1c(C2CCCCCC2)nc2c(CN)cccc21
InChIInChI=1S/C16H23N3/c1-19-14-10-6-9-13(11-17)15(14)18-16(19)12-7-4-2-3-5-8-12/h6,9-10,12H,2-5,7-8,11,17H2,1H3
InChIKeyROUPHHWUOCQHNF-UHFFFAOYSA-N
XLogP3.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-cycloheptyl-1-methylbenzimidazol-4-yl)methanamine?
The IUPAC name of (2-cycloheptyl-1-methylbenzimidazol-4-yl)methanamine (CID 104721457) is (2-cycloheptyl-1-methylbenzimidazol-4-yl)methanamine.
What is the SMILES notation for (2-cycloheptyl-1-methylbenzimidazol-4-yl)methanamine?
The canonical SMILES for (2-cycloheptyl-1-methylbenzimidazol-4-yl)methanamine is Cn1c(C2CCCCCC2)nc2c(CN)cccc21.
What is the InChIKey of (2-cycloheptyl-1-methylbenzimidazol-4-yl)methanamine?
The InChIKey is ROUPHHWUOCQHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-19-14-10-6-9-13(11-17)15(14)18-16(19)12-7-4-2-3-5-8-12/h6,9-10,12H,2-5,7-8,11,17H2,1H3.
What are the key properties of (2-cycloheptyl-1-methylbenzimidazol-4-yl)methanamine?
(2-cycloheptyl-1-methylbenzimidazol-4-yl)methanamine has a molecular weight of 257.38 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cycloheptyl-1-methylbenzimidazol-4-yl)methanamine is sourced from PubChem (CID 104721457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).