N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine

C19H21N3 — CID 11623447

IUPACN-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine
SMILESCc1cc(C)c2c(c1)C(Nc1nc3ccccc3[nH]1)CCC2
InChIInChI=1S/C19H21N3/c1-12-10-13(2)14-6-5-9-16(15(14)11-12)20-19-21-17-7-3-4-8-18(17)22-19/h3-4,7-8,10-11,16H,5-6,9H2,1-2H3,(H2,20,21,22)
InChIKeyHDRJYUOXDGFTLC-UHFFFAOYSA-N
MW291.40 g/mol
LogP4.67
Rot. Bonds2

About N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine

N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine (PubChem CID 11623447) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine
PubChem CID11623447
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC NameN-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine
SMILESCc1cc(C)c2c(c1)C(Nc1nc3ccccc3[nH]1)CCC2
InChIInChI=1S/C19H21N3/c1-12-10-13(2)14-6-5-9-16(15(14)11-12)20-19-21-17-7-3-4-8-18(17)22-19/h3-4,7-8,10-11,16H,5-6,9H2,1-2H3,(H2,20,21,22)
InChIKeyHDRJYUOXDGFTLC-UHFFFAOYSA-N
XLogP4.67
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine (CID 11623447) is N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine is Cc1cc(C)c2c(c1)C(Nc1nc3ccccc3[nH]1)CCC2.
What is the InChIKey of N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine?
The InChIKey is HDRJYUOXDGFTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-12-10-13(2)14-6-5-9-16(15(14)11-12)20-19-21-17-7-3-4-8-18(17)22-19/h3-4,7-8,10-11,16H,5-6,9H2,1-2H3,(H2,20,21,22).
What are the key properties of N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine?
N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine has a molecular weight of 291.40 g/mol, XLogP of 4.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 11623447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).