1-[(4-methoxyphenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole

C16H20N2O — CID 116626601

IUPAC1-[(4-methoxyphenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
SMILESCOc1ccc(Cn2c(C)nc3c2CCCC3)cc1
InChIInChI=1S/C16H20N2O/c1-12-17-15-5-3-4-6-16(15)18(12)11-13-7-9-14(19-2)10-8-13/h7-10H,3-6,11H2,1-2H3
InChIKeyDRFGUTOYAAIQFE-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.13
Rot. Bonds3

About 1-[(4-methoxyphenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole

1-[(4-methoxyphenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 116626601) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
PubChem CID116626601
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-[(4-methoxyphenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
SMILESCOc1ccc(Cn2c(C)nc3c2CCCC3)cc1
InChIInChI=1S/C16H20N2O/c1-12-17-15-5-3-4-6-16(15)18(12)11-13-7-9-14(19-2)10-8-13/h7-10H,3-6,11H2,1-2H3
InChIKeyDRFGUTOYAAIQFE-UHFFFAOYSA-N
XLogP3.13
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,5-dimethylphenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626608
[2-methoxy-4-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]phenyl]methanamine
CID 106786023
1-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626720
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 103174131
1-[(2,5-dichlorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626515
6-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]quinoline
CID 116626693
1-[2-(2-methoxyphenoxy)ethyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626591
1-[(3-fluoro-5-nitrophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626557
2-fluoro-5-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]benzenecarbothioamide
CID 107879722
1-[(2,3-difluorophenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 116626506
2-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 123890436
methyl 1-benzyl-4,5,6,7-tetrahydrobenzimidazole-2-carboxylate
CID 11414560

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole (CID 116626601) is 1-[(4-methoxyphenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole is COc1ccc(Cn2c(C)nc3c2CCCC3)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is DRFGUTOYAAIQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-17-15-5-3-4-6-16(15)18(12)11-13-7-9-14(19-2)10-8-13/h7-10H,3-6,11H2,1-2H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
1-[(4-methoxyphenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 256.35 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 116626601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).