2-(2-naphthalen-2-ylpropyl)-1H-benzimidazole

C20H18N2 — CID 69480611

IUPAC2-(2-naphthalen-2-ylpropyl)-1H-benzimidazole
SMILESCC(Cc1nc2ccccc2[nH]1)c1ccc2ccccc2c1
InChIInChI=1S/C20H18N2/c1-14(12-20-21-18-8-4-5-9-19(18)22-20)16-11-10-15-6-2-3-7-17(15)13-16/h2-11,13-14H,12H2,1H3,(H,21,22)
InChIKeyKQJPKHRSBUOVRV-UHFFFAOYSA-N
MW286.38 g/mol
LogP5.06
Rot. Bonds3

About 2-(2-naphthalen-2-ylpropyl)-1H-benzimidazole

2-(2-naphthalen-2-ylpropyl)-1H-benzimidazole (PubChem CID 69480611) has the molecular formula C20H18N2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(2-naphthalen-2-ylpropyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-naphthalen-2-ylpropyl)-1H-benzimidazole
PubChem CID69480611
Molecular FormulaC20H18N2
Molecular Weight286.38 g/mol
Exact Mass286.15
IUPAC Name2-(2-naphthalen-2-ylpropyl)-1H-benzimidazole
SMILESCC(Cc1nc2ccccc2[nH]1)c1ccc2ccccc2c1
InChIInChI=1S/C20H18N2/c1-14(12-20-21-18-8-4-5-9-19(18)22-20)16-11-10-15-6-2-3-7-17(15)13-16/h2-11,13-14H,12H2,1H3,(H,21,22)
InChIKeyKQJPKHRSBUOVRV-UHFFFAOYSA-N
XLogP5.06
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.38
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(1H-azepin-2-yl)propyl]-1H-benzimidazole
CID 174643970
2-[1-(1H-benzimidazol-2-yl)propan-2-yl]-3H-quinazolin-4-one
CID 137315643
4-(1H-benzimidazol-2-yl)-3-methylbutanoic acid
CID 12789249
2-[(2S)-1-(4-propan-2-ylphenyl)propan-2-yl]-1H-benzimidazole
CID 828176
4-[1-(6-methyl-1H-benzimidazol-2-yl)propan-2-yl]aniline
CID 104501898
N-methyl-2-naphthalen-2-ylpropan-1-amine
CID 19847434
N-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride
CID 56773634
bis(2-ethyl-1H-benzimidazole);sulfane
CID 68768079
2-amino-3-(1H-benzimidazol-2-yl)propan-1-ol
CID 134585016
4-(6-fluoro-1H-benzimidazol-2-yl)-3-naphthalen-2-ylbutanoic acid
CID 45381970
2-[[(2S)-butan-2-yl]sulfanylmethyl]-1H-benzimidazole
CID 886868
2-propan-2-yl-1H-benzimidazole
CID 22121

Frequently Asked Questions

What is the IUPAC name of 2-(2-naphthalen-2-ylpropyl)-1H-benzimidazole?
The IUPAC name of 2-(2-naphthalen-2-ylpropyl)-1H-benzimidazole (CID 69480611) is 2-(2-naphthalen-2-ylpropyl)-1H-benzimidazole.
What is the SMILES notation for 2-(2-naphthalen-2-ylpropyl)-1H-benzimidazole?
The canonical SMILES for 2-(2-naphthalen-2-ylpropyl)-1H-benzimidazole is CC(Cc1nc2ccccc2[nH]1)c1ccc2ccccc2c1.
What is the InChIKey of 2-(2-naphthalen-2-ylpropyl)-1H-benzimidazole?
The InChIKey is KQJPKHRSBUOVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2/c1-14(12-20-21-18-8-4-5-9-19(18)22-20)16-11-10-15-6-2-3-7-17(15)13-16/h2-11,13-14H,12H2,1H3,(H,21,22).
What are the key properties of 2-(2-naphthalen-2-ylpropyl)-1H-benzimidazole?
2-(2-naphthalen-2-ylpropyl)-1H-benzimidazole has a molecular weight of 286.38 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-2-ylpropyl)-1H-benzimidazole is sourced from PubChem (CID 69480611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).