1-butyl-3-(naphthalen-1-ylmethyl)-2H-benzimidazole

C22H24N2 — CID 86096733

IUPAC1-butyl-3-(naphthalen-1-ylmethyl)-2H-benzimidazole
SMILESCCCCN1CN(Cc2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C22H24N2/c1-2-3-15-23-17-24(22-14-7-6-13-21(22)23)16-19-11-8-10-18-9-4-5-12-20(18)19/h4-14H,2-3,15-17H2,1H3
InChIKeyVQZRMABVBMCMFG-UHFFFAOYSA-N
MW316.45 g/mol
LogP5.42
Rot. Bonds5

About 1-butyl-3-(naphthalen-1-ylmethyl)-2H-benzimidazole

1-butyl-3-(naphthalen-1-ylmethyl)-2H-benzimidazole (PubChem CID 86096733) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-butyl-3-(naphthalen-1-ylmethyl)-2H-benzimidazole.

Molecular Properties

Compound Name1-butyl-3-(naphthalen-1-ylmethyl)-2H-benzimidazole
PubChem CID86096733
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name1-butyl-3-(naphthalen-1-ylmethyl)-2H-benzimidazole
SMILESCCCCN1CN(Cc2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C22H24N2/c1-2-3-15-23-17-24(22-14-7-6-13-21(22)23)16-19-11-8-10-18-9-4-5-12-20(18)19/h4-14H,2-3,15-17H2,1H3
InChIKeyVQZRMABVBMCMFG-UHFFFAOYSA-N
XLogP5.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(naphthalen-1-ylmethyl)-2H-benzimidazole?
The IUPAC name of 1-butyl-3-(naphthalen-1-ylmethyl)-2H-benzimidazole (CID 86096733) is 1-butyl-3-(naphthalen-1-ylmethyl)-2H-benzimidazole.
What is the SMILES notation for 1-butyl-3-(naphthalen-1-ylmethyl)-2H-benzimidazole?
The canonical SMILES for 1-butyl-3-(naphthalen-1-ylmethyl)-2H-benzimidazole is CCCCN1CN(Cc2cccc3ccccc23)c2ccccc21.
What is the InChIKey of 1-butyl-3-(naphthalen-1-ylmethyl)-2H-benzimidazole?
The InChIKey is VQZRMABVBMCMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c1-2-3-15-23-17-24(22-14-7-6-13-21(22)23)16-19-11-8-10-18-9-4-5-12-20(18)19/h4-14H,2-3,15-17H2,1H3.
What are the key properties of 1-butyl-3-(naphthalen-1-ylmethyl)-2H-benzimidazole?
1-butyl-3-(naphthalen-1-ylmethyl)-2H-benzimidazole has a molecular weight of 316.45 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(naphthalen-1-ylmethyl)-2H-benzimidazole is sourced from PubChem (CID 86096733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).