[2-(2-bicyclo[2.2.1]heptanyl)-1-methylbenzimidazol-5-yl]methanamine

C16H21N3 — CID 65040056

IUPAC[2-(2-bicyclo[2.2.1]heptanyl)-1-methylbenzimidazol-5-yl]methanamine
SMILESCn1c(C2CC3CCC2C3)nc2cc(CN)ccc21
InChIInChI=1S/C16H21N3/c1-19-15-5-3-11(9-17)8-14(15)18-16(19)13-7-10-2-4-12(13)6-10/h3,5,8,10,12-13H,2,4,6-7,9,17H2,1H3
InChIKeyMIMGUZZTXCWBLS-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.94
Rot. Bonds2

About [2-(2-bicyclo[2.2.1]heptanyl)-1-methylbenzimidazol-5-yl]methanamine

[2-(2-bicyclo[2.2.1]heptanyl)-1-methylbenzimidazol-5-yl]methanamine (PubChem CID 65040056) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is [2-(2-bicyclo[2.2.1]heptanyl)-1-methylbenzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2-bicyclo[2.2.1]heptanyl)-1-methylbenzimidazol-5-yl]methanamine
PubChem CID65040056
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name[2-(2-bicyclo[2.2.1]heptanyl)-1-methylbenzimidazol-5-yl]methanamine
SMILESCn1c(C2CC3CCC2C3)nc2cc(CN)ccc21
InChIInChI=1S/C16H21N3/c1-19-15-5-3-11(9-17)8-14(15)18-16(19)13-7-10-2-4-12(13)6-10/h3,5,8,10,12-13H,2,4,6-7,9,17H2,1H3
InChIKeyMIMGUZZTXCWBLS-UHFFFAOYSA-N
XLogP2.94
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-bicyclo[2.2.1]heptanyl)-1-methylbenzimidazol-5-yl]methanamine?
The IUPAC name of [2-(2-bicyclo[2.2.1]heptanyl)-1-methylbenzimidazol-5-yl]methanamine (CID 65040056) is [2-(2-bicyclo[2.2.1]heptanyl)-1-methylbenzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-(2-bicyclo[2.2.1]heptanyl)-1-methylbenzimidazol-5-yl]methanamine?
The canonical SMILES for [2-(2-bicyclo[2.2.1]heptanyl)-1-methylbenzimidazol-5-yl]methanamine is Cn1c(C2CC3CCC2C3)nc2cc(CN)ccc21.
What is the InChIKey of [2-(2-bicyclo[2.2.1]heptanyl)-1-methylbenzimidazol-5-yl]methanamine?
The InChIKey is MIMGUZZTXCWBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-19-15-5-3-11(9-17)8-14(15)18-16(19)13-7-10-2-4-12(13)6-10/h3,5,8,10,12-13H,2,4,6-7,9,17H2,1H3.
What are the key properties of [2-(2-bicyclo[2.2.1]heptanyl)-1-methylbenzimidazol-5-yl]methanamine?
[2-(2-bicyclo[2.2.1]heptanyl)-1-methylbenzimidazol-5-yl]methanamine has a molecular weight of 255.36 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bicyclo[2.2.1]heptanyl)-1-methylbenzimidazol-5-yl]methanamine is sourced from PubChem (CID 65040056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).