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

C18H19N3 — CID 11601552

IUPACN-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine
SMILESCC1CCC(Nc2nc3ccccc3[nH]2)c2ccccc21
InChIInChI=1S/C18H19N3/c1-12-10-11-15(14-7-3-2-6-13(12)14)19-18-20-16-8-4-5-9-17(16)21-18/h2-9,12,15H,10-11H2,1H3,(H2,19,20,21)
InChIKeyAFQJPONMXLXQKC-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.61
Rot. Bonds2

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

N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine (PubChem CID 11601552) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine
PubChem CID11601552
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine
SMILESCC1CCC(Nc2nc3ccccc3[nH]2)c2ccccc21
InChIInChI=1S/C18H19N3/c1-12-10-11-15(14-7-3-2-6-13(12)14)19-18-20-16-8-4-5-9-17(16)21-18/h2-9,12,15H,10-11H2,1H3,(H2,19,20,21)
InChIKeyAFQJPONMXLXQKC-UHFFFAOYSA-N
XLogP4.61
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine (CID 11601552) is N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine is CC1CCC(Nc2nc3ccccc3[nH]2)c2ccccc21.
What is the InChIKey of N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine?
The InChIKey is AFQJPONMXLXQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-12-10-11-15(14-7-3-2-6-13(12)14)19-18-20-16-8-4-5-9-17(16)21-18/h2-9,12,15H,10-11H2,1H3,(H2,19,20,21).
What are the key properties of N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine?
N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine has a molecular weight of 277.37 g/mol, XLogP of 4.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 11601552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).