(2-benzyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanamine

C15H19N3 — CID 82387272

IUPAC(2-benzyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanamine
SMILESNCC1CCc2nc(Cc3ccccc3)[nH]c2C1
InChIInChI=1S/C15H19N3/c16-10-12-6-7-13-14(8-12)18-15(17-13)9-11-4-2-1-3-5-11/h1-5,12H,6-10,16H2,(H,17,18)
InChIKeyGEOFXFQZROHOPD-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.06
Rot. Bonds3

About (2-benzyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanamine

(2-benzyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanamine (PubChem CID 82387272) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is (2-benzyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-benzyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanamine
PubChem CID82387272
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name(2-benzyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanamine
SMILESNCC1CCc2nc(Cc3ccccc3)[nH]c2C1
InChIInChI=1S/C15H19N3/c16-10-12-6-7-13-14(8-12)18-15(17-13)9-11-4-2-1-3-5-11/h1-5,12H,6-10,16H2,(H,17,18)
InChIKeyGEOFXFQZROHOPD-UHFFFAOYSA-N
XLogP2.06
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-benzyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanamine?
The IUPAC name of (2-benzyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanamine (CID 82387272) is (2-benzyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanamine.
What is the SMILES notation for (2-benzyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanamine?
The canonical SMILES for (2-benzyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanamine is NCC1CCc2nc(Cc3ccccc3)[nH]c2C1.
What is the InChIKey of (2-benzyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanamine?
The InChIKey is GEOFXFQZROHOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c16-10-12-6-7-13-14(8-12)18-15(17-13)9-11-4-2-1-3-5-11/h1-5,12H,6-10,16H2,(H,17,18).
What are the key properties of (2-benzyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanamine?
(2-benzyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanamine has a molecular weight of 241.34 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanamine is sourced from PubChem (CID 82387272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).