1-naphthalen-2-yl-3-propan-2-yl-2H-benzimidazole

C20H20N2 — CID 140841858

IUPAC1-naphthalen-2-yl-3-propan-2-yl-2H-benzimidazole
SMILESCC(C)N1CN(c2ccc3ccccc3c2)c2ccccc21
InChIInChI=1S/C20H20N2/c1-15(2)21-14-22(20-10-6-5-9-19(20)21)18-12-11-16-7-3-4-8-17(16)13-18/h3-13,15H,14H2,1-2H3
InChIKeyHMRSGGRWQWJCJD-UHFFFAOYSA-N
MW288.39 g/mol
LogP5.16
Rot. Bonds2

About 1-naphthalen-2-yl-3-propan-2-yl-2H-benzimidazole

1-naphthalen-2-yl-3-propan-2-yl-2H-benzimidazole (PubChem CID 140841858) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-naphthalen-2-yl-3-propan-2-yl-2H-benzimidazole.

Molecular Properties

Compound Name1-naphthalen-2-yl-3-propan-2-yl-2H-benzimidazole
PubChem CID140841858
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name1-naphthalen-2-yl-3-propan-2-yl-2H-benzimidazole
SMILESCC(C)N1CN(c2ccc3ccccc3c2)c2ccccc21
InChIInChI=1S/C20H20N2/c1-15(2)21-14-22(20-10-6-5-9-19(20)21)18-12-11-16-7-3-4-8-17(16)13-18/h3-13,15H,14H2,1-2H3
InChIKeyHMRSGGRWQWJCJD-UHFFFAOYSA-N
XLogP5.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-3-propan-2-yl-2H-benzimidazole?
The IUPAC name of 1-naphthalen-2-yl-3-propan-2-yl-2H-benzimidazole (CID 140841858) is 1-naphthalen-2-yl-3-propan-2-yl-2H-benzimidazole.
What is the SMILES notation for 1-naphthalen-2-yl-3-propan-2-yl-2H-benzimidazole?
The canonical SMILES for 1-naphthalen-2-yl-3-propan-2-yl-2H-benzimidazole is CC(C)N1CN(c2ccc3ccccc3c2)c2ccccc21.
What is the InChIKey of 1-naphthalen-2-yl-3-propan-2-yl-2H-benzimidazole?
The InChIKey is HMRSGGRWQWJCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-15(2)21-14-22(20-10-6-5-9-19(20)21)18-12-11-16-7-3-4-8-17(16)13-18/h3-13,15H,14H2,1-2H3.
What are the key properties of 1-naphthalen-2-yl-3-propan-2-yl-2H-benzimidazole?
1-naphthalen-2-yl-3-propan-2-yl-2H-benzimidazole has a molecular weight of 288.39 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-3-propan-2-yl-2H-benzimidazole is sourced from PubChem (CID 140841858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).