1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole

C31H28N4 — CID 21369618

IUPAC1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole
SMILESc1ccc(Cn2c(CCCc3nc4ccccc4n3Cc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C31H28N4/c1-3-12-24(13-4-1)22-34-28-18-9-7-16-26(28)32-30(34)20-11-21-31-33-27-17-8-10-19-29(27)35(31)23-25-14-5-2-6-15-25/h1-10,12-19H,11,20-23H2
InChIKeyCLMSYCYNQKOSQG-UHFFFAOYSA-N
MW456.59 g/mol
LogP6.66
Rot. Bonds8

About 1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole

1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole (PubChem CID 21369618) has the molecular formula C31H28N4 and a molecular weight of 456.59 g/mol. Its IUPAC name is 1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole.

Molecular Properties

Compound Name1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole
PubChem CID21369618
Molecular FormulaC31H28N4
Molecular Weight456.59 g/mol
Exact Mass456.23
IUPAC Name1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole
SMILESc1ccc(Cn2c(CCCc3nc4ccccc4n3Cc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C31H28N4/c1-3-12-24(13-4-1)22-34-28-18-9-7-16-26(28)32-30(34)20-11-21-31-33-27-17-8-10-19-29(27)35(31)23-25-14-5-2-6-15-25/h1-10,12-19H,11,20-23H2
InChIKeyCLMSYCYNQKOSQG-UHFFFAOYSA-N
XLogP6.66
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-2-propylbenzimidazole
CID 764560
1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878939
1-benzyl-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole
CID 90040298
4-[(2-butylbenzimidazol-1-yl)methyl]aniline
CID 54524981
3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 3155712
1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole
CID 4627166
1-[(4-tert-butylphenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878938
1-Benzyl-2-heptadecyl-1H-benzimidazole,disulfo derivative,sodium salt
CID 90473584
4-[[2-(2-phenylethyl)benzimidazol-1-yl]methyl]benzonitrile
CID 39148178
4-[(2-butylbenzimidazol-1-yl)methyl]benzoic acid
CID 14987298
1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
CID 884778
1-benzyl-2-(phenoxymethyl)benzimidazole
CID 712249

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole?
The IUPAC name of 1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole (CID 21369618) is 1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole.
What is the SMILES notation for 1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole?
The canonical SMILES for 1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole is c1ccc(Cn2c(CCCc3nc4ccccc4n3Cc3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole?
The InChIKey is CLMSYCYNQKOSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N4/c1-3-12-24(13-4-1)22-34-28-18-9-7-16-26(28)32-30(34)20-11-21-31-33-27-17-8-10-19-29(27)35(31)23-25-14-5-2-6-15-25/h1-10,12-19H,11,20-23H2.
What are the key properties of 1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole?
1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole has a molecular weight of 456.59 g/mol, XLogP of 6.66, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole is sourced from PubChem (CID 21369618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).