[2-(2-bicyclo[2.2.1]heptanylmethyl)-1H-benzimidazol-4-yl]methanamine

C16H21N3 — CID 104721320

IUPAC[2-(2-bicyclo[2.2.1]heptanylmethyl)-1H-benzimidazol-4-yl]methanamine
SMILESNCc1cccc2[nH]c(CC3CC4CCC3C4)nc12
InChIInChI=1S/C16H21N3/c17-9-12-2-1-3-14-16(12)19-15(18-14)8-13-7-10-4-5-11(13)6-10/h1-3,10-11,13H,4-9,17H2,(H,18,19)
InChIKeyAQRPWSCZENQSOI-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.00
Rot. Bonds3

About [2-(2-bicyclo[2.2.1]heptanylmethyl)-1H-benzimidazol-4-yl]methanamine

[2-(2-bicyclo[2.2.1]heptanylmethyl)-1H-benzimidazol-4-yl]methanamine (PubChem CID 104721320) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is [2-(2-bicyclo[2.2.1]heptanylmethyl)-1H-benzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(2-bicyclo[2.2.1]heptanylmethyl)-1H-benzimidazol-4-yl]methanamine
PubChem CID104721320
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name[2-(2-bicyclo[2.2.1]heptanylmethyl)-1H-benzimidazol-4-yl]methanamine
SMILESNCc1cccc2[nH]c(CC3CC4CCC3C4)nc12
InChIInChI=1S/C16H21N3/c17-9-12-2-1-3-14-16(12)19-15(18-14)8-13-7-10-4-5-11(13)6-10/h1-3,10-11,13H,4-9,17H2,(H,18,19)
InChIKeyAQRPWSCZENQSOI-UHFFFAOYSA-N
XLogP3.00
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2-bicyclo[2.2.1]heptanylmethyl)-1H-benzimidazol-4-yl]methanamine?
The IUPAC name of [2-(2-bicyclo[2.2.1]heptanylmethyl)-1H-benzimidazol-4-yl]methanamine (CID 104721320) is [2-(2-bicyclo[2.2.1]heptanylmethyl)-1H-benzimidazol-4-yl]methanamine.
What is the SMILES notation for [2-(2-bicyclo[2.2.1]heptanylmethyl)-1H-benzimidazol-4-yl]methanamine?
The canonical SMILES for [2-(2-bicyclo[2.2.1]heptanylmethyl)-1H-benzimidazol-4-yl]methanamine is NCc1cccc2[nH]c(CC3CC4CCC3C4)nc12.
What is the InChIKey of [2-(2-bicyclo[2.2.1]heptanylmethyl)-1H-benzimidazol-4-yl]methanamine?
The InChIKey is AQRPWSCZENQSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c17-9-12-2-1-3-14-16(12)19-15(18-14)8-13-7-10-4-5-11(13)6-10/h1-3,10-11,13H,4-9,17H2,(H,18,19).
What are the key properties of [2-(2-bicyclo[2.2.1]heptanylmethyl)-1H-benzimidazol-4-yl]methanamine?
[2-(2-bicyclo[2.2.1]heptanylmethyl)-1H-benzimidazol-4-yl]methanamine has a molecular weight of 255.36 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bicyclo[2.2.1]heptanylmethyl)-1H-benzimidazol-4-yl]methanamine is sourced from PubChem (CID 104721320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).