2-(2-bromocyclohexen-1-yl)-5,6-dimethyl-1H-benzimidazole

C15H17BrN2 — CID 122372688

IUPAC2-(2-bromocyclohexen-1-yl)-5,6-dimethyl-1H-benzimidazole
SMILESCc1cc2nc(C3=C(Br)CCCC3)[nH]c2cc1C
InChIInChI=1S/C15H17BrN2/c1-9-7-13-14(8-10(9)2)18-15(17-13)11-5-3-4-6-12(11)16/h7-8H,3-6H2,1-2H3,(H,17,18)
InChIKeyNTSYSHYCVGCIMG-UHFFFAOYSA-N
MW305.22 g/mol
LogP4.86
Rot. Bonds1

About 2-(2-bromocyclohexen-1-yl)-5,6-dimethyl-1H-benzimidazole

2-(2-bromocyclohexen-1-yl)-5,6-dimethyl-1H-benzimidazole (PubChem CID 122372688) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 2-(2-bromocyclohexen-1-yl)-5,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-bromocyclohexen-1-yl)-5,6-dimethyl-1H-benzimidazole
PubChem CID122372688
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name2-(2-bromocyclohexen-1-yl)-5,6-dimethyl-1H-benzimidazole
SMILESCc1cc2nc(C3=C(Br)CCCC3)[nH]c2cc1C
InChIInChI=1S/C15H17BrN2/c1-9-7-13-14(8-10(9)2)18-15(17-13)11-5-3-4-6-12(11)16/h7-8H,3-6H2,1-2H3,(H,17,18)
InChIKeyNTSYSHYCVGCIMG-UHFFFAOYSA-N
XLogP4.86
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromo-2-methylphenyl)-5,6-dimethyl-1H-benzimidazole
CID 63399315
2-(2-bromo-3,4,5-trimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 82144267
2,4-dibromo-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 63495096
2-(3-bromothiophen-2-yl)-5,6-dimethyl-1H-benzimidazole
CID 63796925
2-(5-bromo-2-fluorophenyl)-5,6-dimethyl-1H-benzimidazole
CID 55185573
5,6-dimethyl-2-pyridazin-4-yl-1H-benzimidazole
CID 104670981
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
CID 62336006
5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylbenzene-1,3-diamine
CID 56736956
4-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 14641349
2-(5-chloronaphthalen-1-yl)-5,6-dimethyl-1H-benzimidazole
CID 56737110
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylphenol
CID 136751417
2-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-methylthiophen-3-amine
CID 114915474

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromocyclohexen-1-yl)-5,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-(2-bromocyclohexen-1-yl)-5,6-dimethyl-1H-benzimidazole (CID 122372688) is 2-(2-bromocyclohexen-1-yl)-5,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-(2-bromocyclohexen-1-yl)-5,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-(2-bromocyclohexen-1-yl)-5,6-dimethyl-1H-benzimidazole is Cc1cc2nc(C3=C(Br)CCCC3)[nH]c2cc1C.
What is the InChIKey of 2-(2-bromocyclohexen-1-yl)-5,6-dimethyl-1H-benzimidazole?
The InChIKey is NTSYSHYCVGCIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-9-7-13-14(8-10(9)2)18-15(17-13)11-5-3-4-6-12(11)16/h7-8H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 2-(2-bromocyclohexen-1-yl)-5,6-dimethyl-1H-benzimidazole?
2-(2-bromocyclohexen-1-yl)-5,6-dimethyl-1H-benzimidazole has a molecular weight of 305.22 g/mol, XLogP of 4.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromocyclohexen-1-yl)-5,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 122372688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).