2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole

C17H16N4 — CID 66628016

IUPAC2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole
SMILESCC(C)(c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H16N4/c1-17(2,15-18-11-7-3-4-8-12(11)19-15)16-20-13-9-5-6-10-14(13)21-16/h3-10H,1-2H3,(H,18,19)(H,20,21)
InChIKeyOKEHUYNYANXOEH-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.77
Rot. Bonds2

About 2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole

2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole (PubChem CID 66628016) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole
PubChem CID66628016
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole
SMILESCC(C)(c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H16N4/c1-17(2,15-18-11-7-3-4-8-12(11)19-15)16-20-13-9-5-6-10-14(13)21-16/h3-10H,1-2H3,(H,18,19)(H,20,21)
InChIKeyOKEHUYNYANXOEH-UHFFFAOYSA-N
XLogP3.77
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-fluorophenyl)propan-2-yl]-1H-benzimidazole
CID 149030200
[1-(1H-benzimidazol-2-yl)-1-phosphonoethyl]phosphonic acid;hydrate
CID 87788958
1-amino-1-(1H-benzimidazol-2-yl)ethane-1,2-dithiol
CID 57302546
2-methyl-1H-benzimidazole
CID 11984
N-tert-butyl-1H-benzimidazol-2-amine
CID 54040021
1H-benzimidazol-2-yl(difluoro)methanesulfonate
CID 5047631
CID 101039162
CID 101039162
methanamine;2-methyl-1H-benzimidazole
CID 143453689
2-(1H-benzimidazol-2-yl)-2,3-ditert-butylbutanebis(thioic S-acid)
CID 88707489
2-propan-2-yl-1H-benzimidazole
CID 22121
ethane;2-methyl-1H-benzimidazole;molecular hydrogen
CID 166167875
1H-benzimidazol-2-yl(trimethyl)-λ4-sulfane
CID 123457333

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole?
The IUPAC name of 2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole (CID 66628016) is 2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole?
The canonical SMILES for 2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole is CC(C)(c1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole?
The InChIKey is OKEHUYNYANXOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-17(2,15-18-11-7-3-4-8-12(11)19-15)16-20-13-9-5-6-10-14(13)21-16/h3-10H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole?
2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole has a molecular weight of 276.34 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole is sourced from PubChem (CID 66628016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).