2-[(2,5-dimethylphenyl)methyl]-1H-benzimidazole

C16H16N2 — CID 62537868

IUPAC2-[(2,5-dimethylphenyl)methyl]-1H-benzimidazole
SMILESCc1ccc(C)c(Cc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C16H16N2/c1-11-7-8-12(2)13(9-11)10-16-17-14-5-3-4-6-15(14)18-16/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyPBHQRLKMPWDUIY-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.77
Rot. Bonds2

About 2-[(2,5-dimethylphenyl)methyl]-1H-benzimidazole

2-[(2,5-dimethylphenyl)methyl]-1H-benzimidazole (PubChem CID 62537868) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methyl]-1H-benzimidazole
PubChem CID62537868
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name2-[(2,5-dimethylphenyl)methyl]-1H-benzimidazole
SMILESCc1ccc(C)c(Cc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C16H16N2/c1-11-7-8-12(2)13(9-11)10-16-17-14-5-3-4-6-15(14)18-16/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyPBHQRLKMPWDUIY-UHFFFAOYSA-N
XLogP3.77
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-methylphenyl)methyl]-1H-benzimidazole
CID 772158
2-[(2,5-dimethylphenyl)methylsulfanyl]-1H-benzimidazole
CID 899259
5-bromo-2-[(2,5-dimethylphenyl)methyl]-6-fluoro-1H-benzimidazole
CID 79631232
2-[(6-methyl-1H-benzimidazol-2-yl)methyl]phenol
CID 80740442
2-[(2,5-dimethylphenyl)methyl]-4,5-difluoro-1H-benzimidazole
CID 115911936
2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 11738728
2-[(4,6-dichloropyrimidin-2-yl)methyl]-1H-benzimidazole
CID 63637718
CID 58296357
CID 58296357
2-[(5-methylthiophen-2-yl)methyl]-1H-benzimidazole
CID 165348409
2-[2-(1H-benzimidazol-2-ylmethyl)phenyl]-1H-benzimidazole
CID 86342200
3-(1H-benzimidazol-2-ylmethyl)aniline
CID 65346591
N-[2-(2,4-dimethylphenyl)ethyl]-1H-benzimidazol-2-amine
CID 115143891

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-1H-benzimidazole?
The IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-1H-benzimidazole (CID 62537868) is 2-[(2,5-dimethylphenyl)methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methyl]-1H-benzimidazole?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methyl]-1H-benzimidazole is Cc1ccc(C)c(Cc2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methyl]-1H-benzimidazole?
The InChIKey is PBHQRLKMPWDUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-11-7-8-12(2)13(9-11)10-16-17-14-5-3-4-6-15(14)18-16/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of 2-[(2,5-dimethylphenyl)methyl]-1H-benzimidazole?
2-[(2,5-dimethylphenyl)methyl]-1H-benzimidazole has a molecular weight of 236.32 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)methyl]-1H-benzimidazole is sourced from PubChem (CID 62537868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).