2-(1,2-dimethyl-9H-fluoren-3-yl)-1H-benzimidazole

C22H18N2 — CID 151102364

IUPAC2-(1,2-dimethyl-9H-fluoren-3-yl)-1H-benzimidazole
SMILESCc1c(-c2nc3ccccc3[nH]2)cc2c(c1C)Cc1ccccc1-2
InChIInChI=1S/C22H18N2/c1-13-14(2)18(22-23-20-9-5-6-10-21(20)24-22)12-19-16-8-4-3-7-15(16)11-17(13)19/h3-10,12H,11H2,1-2H3,(H,23,24)
InChIKeyMOJXFFHQYPKHDQ-UHFFFAOYSA-N
MW310.40 g/mol
LogP5.42
Rot. Bonds1

About 2-(1,2-dimethyl-9H-fluoren-3-yl)-1H-benzimidazole

2-(1,2-dimethyl-9H-fluoren-3-yl)-1H-benzimidazole (PubChem CID 151102364) has the molecular formula C22H18N2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(1,2-dimethyl-9H-fluoren-3-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(1,2-dimethyl-9H-fluoren-3-yl)-1H-benzimidazole
PubChem CID151102364
Molecular FormulaC22H18N2
Molecular Weight310.40 g/mol
Exact Mass310.15
IUPAC Name2-(1,2-dimethyl-9H-fluoren-3-yl)-1H-benzimidazole
SMILESCc1c(-c2nc3ccccc3[nH]2)cc2c(c1C)Cc1ccccc1-2
InChIInChI=1S/C22H18N2/c1-13-14(2)18(22-23-20-9-5-6-10-21(20)24-22)12-19-16-8-4-3-7-15(16)11-17(13)19/h3-10,12H,11H2,1-2H3,(H,23,24)
InChIKeyMOJXFFHQYPKHDQ-UHFFFAOYSA-N
XLogP5.42
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(9H-fluoren-3-yl)-1H-benzimidazole
CID 91679712
2-[2-(1H-benzimidazol-2-yl)-3,4-dimethylphenyl]-1H-benzimidazole
CID 22475730
2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 17010591
2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole
CID 168554186
4-(1,2-dimethyl-9H-fluoren-3-yl)naphthalen-1-ol
CID 151799545
bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+)
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copper bis(2-(1H-benzimidazol-2-yl)phenolate)
CID 134105250
8-(1H-benzimidazol-2-yl)-3-ethyl-2-methylquinoline
CID 141290230
2-(1H-benzimidazol-2-yl)aniline;dihydrochloride
CID 133057606
N-[2-(1H-benzimidazol-2-yl)phenyl]acetamide
CID 5137262
2-phenanthren-9-yl-1H-benzimidazole
CID 102492769
2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797671

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethyl-9H-fluoren-3-yl)-1H-benzimidazole?
The IUPAC name of 2-(1,2-dimethyl-9H-fluoren-3-yl)-1H-benzimidazole (CID 151102364) is 2-(1,2-dimethyl-9H-fluoren-3-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(1,2-dimethyl-9H-fluoren-3-yl)-1H-benzimidazole?
The canonical SMILES for 2-(1,2-dimethyl-9H-fluoren-3-yl)-1H-benzimidazole is Cc1c(-c2nc3ccccc3[nH]2)cc2c(c1C)Cc1ccccc1-2.
What is the InChIKey of 2-(1,2-dimethyl-9H-fluoren-3-yl)-1H-benzimidazole?
The InChIKey is MOJXFFHQYPKHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2/c1-13-14(2)18(22-23-20-9-5-6-10-21(20)24-22)12-19-16-8-4-3-7-15(16)11-17(13)19/h3-10,12H,11H2,1-2H3,(H,23,24).
What are the key properties of 2-(1,2-dimethyl-9H-fluoren-3-yl)-1H-benzimidazole?
2-(1,2-dimethyl-9H-fluoren-3-yl)-1H-benzimidazole has a molecular weight of 310.40 g/mol, XLogP of 5.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethyl-9H-fluoren-3-yl)-1H-benzimidazole is sourced from PubChem (CID 151102364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).