N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-amine

C17H17N3 — CID 25157552

IUPACN-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-amine
SMILESc1ccc2c(c1)CCC(Nc1nc3ccccc3[nH]1)C2
InChIInChI=1S/C17H17N3/c1-2-6-13-11-14(10-9-12(13)5-1)18-17-19-15-7-3-4-8-16(15)20-17/h1-8,14H,9-11H2,(H2,18,19,20)
InChIKeyFGAKCRQRJSMKLI-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.53
Rot. Bonds2

About N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-amine

N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-amine (PubChem CID 25157552) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-amine
PubChem CID25157552
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC NameN-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-amine
SMILESc1ccc2c(c1)CCC(Nc1nc3ccccc3[nH]1)C2
InChIInChI=1S/C17H17N3/c1-2-6-13-11-14(10-9-12(13)5-1)18-17-19-15-7-3-4-8-16(15)20-17/h1-8,14H,9-11H2,(H2,18,19,20)
InChIKeyFGAKCRQRJSMKLI-UHFFFAOYSA-N
XLogP3.53
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-amine (CID 25157552) is N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-amine is c1ccc2c(c1)CCC(Nc1nc3ccccc3[nH]1)C2.
What is the InChIKey of N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-amine?
The InChIKey is FGAKCRQRJSMKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-2-6-13-11-14(10-9-12(13)5-1)18-17-19-15-7-3-4-8-16(15)20-17/h1-8,14H,9-11H2,(H2,18,19,20).
What are the key properties of N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-amine?
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-amine has a molecular weight of 263.34 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 25157552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).