(2R)-1,2-dimethyl-3-[2-(3-methylheptan-3-yl)phenyl]-2H-benzimidazole

C23H32N2 — CID 134524763

IUPAC(2R)-1,2-dimethyl-3-[2-(3-methylheptan-3-yl)phenyl]-2H-benzimidazole
SMILESCCCCC(C)(CC)c1ccccc1N1c2ccccc2N(C)[C@H]1C
InChIInChI=1S/C23H32N2/c1-6-8-17-23(4,7-2)19-13-9-10-14-20(19)25-18(3)24(5)21-15-11-12-16-22(21)25/h9-16,18H,6-8,17H2,1-5H3/t18-,23?/m1/s1
InChIKeyUQFRQWYVAHVSRQ-FKSKYRLFSA-N
MW336.52 g/mol
LogP6.48
Rot. Bonds6

About (2R)-1,2-dimethyl-3-[2-(3-methylheptan-3-yl)phenyl]-2H-benzimidazole

(2R)-1,2-dimethyl-3-[2-(3-methylheptan-3-yl)phenyl]-2H-benzimidazole (PubChem CID 134524763) has the molecular formula C23H32N2 and a molecular weight of 336.52 g/mol. Its IUPAC name is (2R)-1,2-dimethyl-3-[2-(3-methylheptan-3-yl)phenyl]-2H-benzimidazole.

Molecular Properties

Compound Name(2R)-1,2-dimethyl-3-[2-(3-methylheptan-3-yl)phenyl]-2H-benzimidazole
PubChem CID134524763
Molecular FormulaC23H32N2
Molecular Weight336.52 g/mol
Exact Mass336.26
IUPAC Name(2R)-1,2-dimethyl-3-[2-(3-methylheptan-3-yl)phenyl]-2H-benzimidazole
SMILESCCCCC(C)(CC)c1ccccc1N1c2ccccc2N(C)[C@H]1C
InChIInChI=1S/C23H32N2/c1-6-8-17-23(4,7-2)19-13-9-10-14-20(19)25-18(3)24(5)21-15-11-12-16-22(21)25/h9-16,18H,6-8,17H2,1-5H3/t18-,23?/m1/s1
InChIKeyUQFRQWYVAHVSRQ-FKSKYRLFSA-N
XLogP6.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.52
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-tert-butyl-2-(3-methylhexan-3-yl)phenyl]-2-methyl-3-(2-phenylphenyl)-2H-benzimidazole
CID 144936169
(2S)-1-[6-[(2R)-2,3-dimethyl-2H-benzimidazol-1-yl]-1-methylpyridin-1-ium-2-yl]-2,3-dimethyl-2H-benzimidazole
CID 123501271
(2S)-1,2-dimethyl-3-(3-methyl-4-pyridinyl)-2H-benzimidazole
CID 118314581
1-(2-tert-butylphenyl)-2-methyl-3-phenyl-2H-benzimidazole;fluoromethane
CID 144644292
3-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-4-methylquinoline
CID 140917852
9-[2-(3-methylpentan-3-yl)phenyl]carbazole
CID 143971806
1,2-bis(13,13,13-trimethoxy-3-methyltridecan-3-yl)benzene
CID 150108305
(2R,3R)-1,3-dimethyl-2-pentyl-2,3-dihydroindole
CID 163690232
(5,6-diethyl-6-phenyldecan-5-yl)benzene
CID 10545838
1-(3-methylheptan-3-yl)-4-(trifluoromethyl)benzene
CID 146621194
bis((2R)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole);(2S)-1-(2,6-dimethylphenyl)-2-methyl-3-(2-methylphenyl)-2H-imidazole;(2S)-1-[2,6-di(propan-2-yl)phenyl]-2-methyl-3-(2-methylphenyl)-2H-imidazole
CID 160784637
1,2-dimethyl-3-(4-methyl-2,6-diphenylphenyl)-2H-benzimidazole
CID 166657827

Frequently Asked Questions

What is the IUPAC name of (2R)-1,2-dimethyl-3-[2-(3-methylheptan-3-yl)phenyl]-2H-benzimidazole?
The IUPAC name of (2R)-1,2-dimethyl-3-[2-(3-methylheptan-3-yl)phenyl]-2H-benzimidazole (CID 134524763) is (2R)-1,2-dimethyl-3-[2-(3-methylheptan-3-yl)phenyl]-2H-benzimidazole.
What is the SMILES notation for (2R)-1,2-dimethyl-3-[2-(3-methylheptan-3-yl)phenyl]-2H-benzimidazole?
The canonical SMILES for (2R)-1,2-dimethyl-3-[2-(3-methylheptan-3-yl)phenyl]-2H-benzimidazole is CCCCC(C)(CC)c1ccccc1N1c2ccccc2N(C)[C@H]1C.
What is the InChIKey of (2R)-1,2-dimethyl-3-[2-(3-methylheptan-3-yl)phenyl]-2H-benzimidazole?
The InChIKey is UQFRQWYVAHVSRQ-FKSKYRLFSA-N. The full InChI is InChI=1S/C23H32N2/c1-6-8-17-23(4,7-2)19-13-9-10-14-20(19)25-18(3)24(5)21-15-11-12-16-22(21)25/h9-16,18H,6-8,17H2,1-5H3/t18-,23?/m1/s1.
What are the key properties of (2R)-1,2-dimethyl-3-[2-(3-methylheptan-3-yl)phenyl]-2H-benzimidazole?
(2R)-1,2-dimethyl-3-[2-(3-methylheptan-3-yl)phenyl]-2H-benzimidazole has a molecular weight of 336.52 g/mol, XLogP of 6.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,2-dimethyl-3-[2-(3-methylheptan-3-yl)phenyl]-2H-benzimidazole is sourced from PubChem (CID 134524763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).