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

C18H19N3 — CID 11601551

IUPACN-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine
SMILESCC1CCc2ccccc2C1Nc1nc2ccccc2[nH]1
InChIInChI=1S/C18H19N3/c1-12-10-11-13-6-2-3-7-14(13)17(12)21-18-19-15-8-4-5-9-16(15)20-18/h2-9,12,17H,10-11H2,1H3,(H2,19,20,21)
InChIKeyGHOVHQYWZYSKQQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.30
Rot. Bonds2

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

N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine (PubChem CID 11601551) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine
PubChem CID11601551
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine
SMILESCC1CCc2ccccc2C1Nc1nc2ccccc2[nH]1
InChIInChI=1S/C18H19N3/c1-12-10-11-13-6-2-3-7-14(13)17(12)21-18-19-15-8-4-5-9-16(15)20-18/h2-9,12,17H,10-11H2,1H3,(H2,19,20,21)
InChIKeyGHOVHQYWZYSKQQ-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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5,6-Dimethylbenzimidazol-2-ylamine
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N-benzyl-1H-1,3-benzodiazol-2-amine
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5,7-diphenyl-2-propan-2-yl-1H-imidazo[4,5-b]pyridine
CID 16109428
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Stk857277
CID 950737

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine (CID 11601551) is N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine is CC1CCc2ccccc2C1Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine?
The InChIKey is GHOVHQYWZYSKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-12-10-11-13-6-2-3-7-14(13)17(12)21-18-19-15-8-4-5-9-16(15)20-18/h2-9,12,17H,10-11H2,1H3,(H2,19,20,21).
What are the key properties of N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine?
N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine has a molecular weight of 277.37 g/mol, XLogP of 4.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 11601551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).