2-tert-butyl-1-(naphthalen-1-ylmethyl)benzimidazole

C22H22N2 — CID 18811357

IUPAC2-tert-butyl-1-(naphthalen-1-ylmethyl)benzimidazole
SMILESCC(C)(C)c1nc2ccccc2n1Cc1cccc2ccccc12
InChIInChI=1S/C22H22N2/c1-22(2,3)21-23-19-13-6-7-14-20(19)24(21)15-17-11-8-10-16-9-4-5-12-18(16)17/h4-14H,15H2,1-3H3
InChIKeySNEGYVKZRWEURW-UHFFFAOYSA-N
MW314.43 g/mol
LogP5.54
Rot. Bonds2

About 2-tert-butyl-1-(naphthalen-1-ylmethyl)benzimidazole

2-tert-butyl-1-(naphthalen-1-ylmethyl)benzimidazole (PubChem CID 18811357) has the molecular formula C22H22N2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-tert-butyl-1-(naphthalen-1-ylmethyl)benzimidazole.

Molecular Properties

Compound Name2-tert-butyl-1-(naphthalen-1-ylmethyl)benzimidazole
PubChem CID18811357
Molecular FormulaC22H22N2
Molecular Weight314.43 g/mol
Exact Mass314.18
IUPAC Name2-tert-butyl-1-(naphthalen-1-ylmethyl)benzimidazole
SMILESCC(C)(C)c1nc2ccccc2n1Cc1cccc2ccccc12
InChIInChI=1S/C22H22N2/c1-22(2,3)21-23-19-13-6-7-14-20(19)24(21)15-17-11-8-10-16-9-4-5-12-18(16)17/h4-14H,15H2,1-3H3
InChIKeySNEGYVKZRWEURW-UHFFFAOYSA-N
XLogP5.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)-1-(naphthalen-1-ylmethyl)benzimidazole
CID 18878804
1-[(3-bromophenyl)methyl]-2-tert-butylbenzimidazole
CID 17000378
2-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
CID 18811353
1-(naphthalen-1-ylmethyl)quinoxalin-2-one
CID 9369622
2-tert-butyl-1-pentylbenzimidazole
CID 17000368
4-(2-tert-butylbenzimidazol-1-yl)butan-1-amine
CID 82144558
N-[[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]methyl]butanamide
CID 16968882
2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylacetamide
CID 817609
1-[(2-fluorophenyl)methyl]-2-(naphthalen-1-ylmethyl)benzimidazole
CID 4631818
2-methyl-1-[[2-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
CID 154733183
2-(2,4-dichlorophenyl)-1-(naphthalen-1-ylmethyl)benzimidazole
CID 16987710
2-tert-butyl-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 17000384

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(naphthalen-1-ylmethyl)benzimidazole?
The IUPAC name of 2-tert-butyl-1-(naphthalen-1-ylmethyl)benzimidazole (CID 18811357) is 2-tert-butyl-1-(naphthalen-1-ylmethyl)benzimidazole.
What is the SMILES notation for 2-tert-butyl-1-(naphthalen-1-ylmethyl)benzimidazole?
The canonical SMILES for 2-tert-butyl-1-(naphthalen-1-ylmethyl)benzimidazole is CC(C)(C)c1nc2ccccc2n1Cc1cccc2ccccc12.
What is the InChIKey of 2-tert-butyl-1-(naphthalen-1-ylmethyl)benzimidazole?
The InChIKey is SNEGYVKZRWEURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2/c1-22(2,3)21-23-19-13-6-7-14-20(19)24(21)15-17-11-8-10-16-9-4-5-12-18(16)17/h4-14H,15H2,1-3H3.
What are the key properties of 2-tert-butyl-1-(naphthalen-1-ylmethyl)benzimidazole?
2-tert-butyl-1-(naphthalen-1-ylmethyl)benzimidazole has a molecular weight of 314.43 g/mol, XLogP of 5.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(naphthalen-1-ylmethyl)benzimidazole is sourced from PubChem (CID 18811357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).