1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole

C30H26N4 — CID 141183373

IUPAC1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole
SMILESCC(c1nc2ccccc2n1Cc1ccccc1)c1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C30H26N4/c1-22(29-31-25-16-8-10-18-27(25)33(29)20-23-12-4-2-5-13-23)30-32-26-17-9-11-19-28(26)34(30)21-24-14-6-3-7-15-24/h2-19,22H,20-21H2,1H3
InChIKeyAIDHJBSFXAUNOJ-UHFFFAOYSA-N
MW442.57 g/mol
LogP6.63
Rot. Bonds6

About 1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole

1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole (PubChem CID 141183373) has the molecular formula C30H26N4 and a molecular weight of 442.57 g/mol. Its IUPAC name is 1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole.

Molecular Properties

Compound Name1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole
PubChem CID141183373
Molecular FormulaC30H26N4
Molecular Weight442.57 g/mol
Exact Mass442.22
IUPAC Name1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole
SMILESCC(c1nc2ccccc2n1Cc1ccccc1)c1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C30H26N4/c1-22(29-31-25-16-8-10-18-27(25)33(29)20-23-12-4-2-5-13-23)30-32-26-17-9-11-19-28(26)34(30)21-24-14-6-3-7-15-24/h2-19,22H,20-21H2,1H3
InChIKeyAIDHJBSFXAUNOJ-UHFFFAOYSA-N
XLogP6.63
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.57
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(1-benzylbenzimidazol-2-yl)ethanol
CID 764782
(R)-(1-benzylbenzimidazol-2-yl)-(4-propan-2-ylphenyl)methanol
CID 7007591
1-benzyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
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2-(1-chloroethyl)-1-[(4-methylphenyl)methyl]benzimidazole
CID 43666398
2-butan-2-yl-1-[(4-phenylphenyl)methyl]benzimidazole
CID 70368929
2-benzhydryl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole
CID 16987223
1-benzyl-2-chlorobenzimidazole
CID 3821987
(1S)-1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethanol
CID 950441
1-[(3-bromophenyl)methyl]-2-(1-chloroethyl)benzimidazole
CID 63545927
1-benzyl-3-ethylquinoxalin-2-one
CID 91739681
1-(1-benzylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine;dihydrochloride
CID 71755974
(S)-(1-benzylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 867678

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole?
The IUPAC name of 1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole (CID 141183373) is 1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole.
What is the SMILES notation for 1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole?
The canonical SMILES for 1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole is CC(c1nc2ccccc2n1Cc1ccccc1)c1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole?
The InChIKey is AIDHJBSFXAUNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4/c1-22(29-31-25-16-8-10-18-27(25)33(29)20-23-12-4-2-5-13-23)30-32-26-17-9-11-19-28(26)34(30)21-24-14-6-3-7-15-24/h2-19,22H,20-21H2,1H3.
What are the key properties of 1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole?
1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole has a molecular weight of 442.57 g/mol, XLogP of 6.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole is sourced from PubChem (CID 141183373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).