ethane;1-(3-ethylphenyl)-5-propan-2-ylbenzimidazole

C20H26N2 — CID 143307448

IUPACethane;1-(3-ethylphenyl)-5-propan-2-ylbenzimidazole
SMILESCC.CCc1cccc(-n2cnc3cc(C(C)C)ccc32)c1
InChIInChI=1S/C18H20N2.C2H6/c1-4-14-6-5-7-16(10-14)20-12-19-17-11-15(13(2)3)8-9-18(17)20;1-2/h5-13H,4H2,1-3H3;1-2H3
InChIKeyCETPUKIEGANGPN-UHFFFAOYSA-N
MW294.44 g/mol
LogP5.74
Rot. Bonds3

About ethane;1-(3-ethylphenyl)-5-propan-2-ylbenzimidazole

ethane;1-(3-ethylphenyl)-5-propan-2-ylbenzimidazole (PubChem CID 143307448) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is ethane;1-(3-ethylphenyl)-5-propan-2-ylbenzimidazole.

Molecular Properties

Compound Nameethane;1-(3-ethylphenyl)-5-propan-2-ylbenzimidazole
PubChem CID143307448
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Nameethane;1-(3-ethylphenyl)-5-propan-2-ylbenzimidazole
SMILESCC.CCc1cccc(-n2cnc3cc(C(C)C)ccc32)c1
InChIInChI=1S/C18H20N2.C2H6/c1-4-14-6-5-7-16(10-14)20-12-19-17-11-15(13(2)3)8-9-18(17)20;1-2/h5-13H,4H2,1-3H3;1-2H3
InChIKeyCETPUKIEGANGPN-UHFFFAOYSA-N
XLogP5.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-propan-2-yl-1-(3-pyridin-3-ylphenyl)benzimidazole
CID 19425997
5-[(Z)-2-(4-ethylphenyl)ethenyl]-1-(4-propan-2-ylphenyl)benzimidazole
CID 151682330
1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethanamine
CID 16660556
1-(4-ethylphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine
CID 66793952
1-[1-(3-bromophenyl)benzimidazol-5-yl]-1-deuterioethanol
CID 58349877
5-ethyl-1-methylindazole;1-methyl-5-propan-2-ylbenzimidazole
CID 177179494
N-benzyl-1-[1-(3-pyridin-3-ylphenyl)benzimidazol-5-yl]ethanamine
CID 11983428
1-[1-(3-imidazol-1-ylphenyl)benzimidazol-5-yl]ethanol
CID 11415465
N-[(1R)-1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethyl]acetamide
CID 67096068
1-(3-imidazol-1-ylphenyl)-5-(1-propan-2-yloxyethyl)benzimidazole
CID 11484788
N-ethenyl-1-[[3-(5-ethylbenzimidazol-1-yl)phenyl]methoxy]but-3-en-2-imine
CID 143309614
(1R)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanol
CID 67152123

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-ethylphenyl)-5-propan-2-ylbenzimidazole?
The IUPAC name of ethane;1-(3-ethylphenyl)-5-propan-2-ylbenzimidazole (CID 143307448) is ethane;1-(3-ethylphenyl)-5-propan-2-ylbenzimidazole.
What is the SMILES notation for ethane;1-(3-ethylphenyl)-5-propan-2-ylbenzimidazole?
The canonical SMILES for ethane;1-(3-ethylphenyl)-5-propan-2-ylbenzimidazole is CC.CCc1cccc(-n2cnc3cc(C(C)C)ccc32)c1.
What is the InChIKey of ethane;1-(3-ethylphenyl)-5-propan-2-ylbenzimidazole?
The InChIKey is CETPUKIEGANGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2.C2H6/c1-4-14-6-5-7-16(10-14)20-12-19-17-11-15(13(2)3)8-9-18(17)20;1-2/h5-13H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(3-ethylphenyl)-5-propan-2-ylbenzimidazole?
ethane;1-(3-ethylphenyl)-5-propan-2-ylbenzimidazole has a molecular weight of 294.44 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-ethylphenyl)-5-propan-2-ylbenzimidazole is sourced from PubChem (CID 143307448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).