1-[(4-methylphenyl)methyl]-3-[(2S)-1-phenylbutan-2-yl]benzimidazol-2-imine

C25H27N3 — CID 155774487

IUPAC1-[(4-methylphenyl)methyl]-3-[(2S)-1-phenylbutan-2-yl]benzimidazol-2-imine
SMILES[H]/N=c1/n(Cc2ccc(C)cc2)c2ccccc2n1[C@@H](CC)Cc1ccccc1
InChIInChI=1S/C25H27N3/c1-3-22(17-20-9-5-4-6-10-20)28-24-12-8-7-11-23(24)27(25(28)26)18-21-15-13-19(2)14-16-21/h4-16,22,26H,3,17-18H2,1-2H3/b26-25-/t22-/m0/s1
InChIKeyRMMVBKHOJNIIBN-PSCYQSDVSA-N
MW369.51 g/mol
LogP5.47
Rot. Bonds6

About 1-[(4-methylphenyl)methyl]-3-[(2S)-1-phenylbutan-2-yl]benzimidazol-2-imine

1-[(4-methylphenyl)methyl]-3-[(2S)-1-phenylbutan-2-yl]benzimidazol-2-imine (PubChem CID 155774487) has the molecular formula C25H27N3 and a molecular weight of 369.51 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-3-[(2S)-1-phenylbutan-2-yl]benzimidazol-2-imine.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-3-[(2S)-1-phenylbutan-2-yl]benzimidazol-2-imine
PubChem CID155774487
Molecular FormulaC25H27N3
Molecular Weight369.51 g/mol
Exact Mass369.22
IUPAC Name1-[(4-methylphenyl)methyl]-3-[(2S)-1-phenylbutan-2-yl]benzimidazol-2-imine
SMILES[H]/N=c1/n(Cc2ccc(C)cc2)c2ccccc2n1[C@@H](CC)Cc1ccccc1
InChIInChI=1S/C25H27N3/c1-3-22(17-20-9-5-4-6-10-20)28-24-12-8-7-11-23(24)27(25(28)26)18-21-15-13-19(2)14-16-21/h4-16,22,26H,3,17-18H2,1-2H3/b26-25-/t22-/m0/s1
InChIKeyRMMVBKHOJNIIBN-PSCYQSDVSA-N
XLogP5.47
TPSA33.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-3-[(2S)-1-phenylbutan-2-yl]benzimidazol-2-imine?
The IUPAC name of 1-[(4-methylphenyl)methyl]-3-[(2S)-1-phenylbutan-2-yl]benzimidazol-2-imine (CID 155774487) is 1-[(4-methylphenyl)methyl]-3-[(2S)-1-phenylbutan-2-yl]benzimidazol-2-imine.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-3-[(2S)-1-phenylbutan-2-yl]benzimidazol-2-imine?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-3-[(2S)-1-phenylbutan-2-yl]benzimidazol-2-imine is [H]/N=c1/n(Cc2ccc(C)cc2)c2ccccc2n1[C@@H](CC)Cc1ccccc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-3-[(2S)-1-phenylbutan-2-yl]benzimidazol-2-imine?
The InChIKey is RMMVBKHOJNIIBN-PSCYQSDVSA-N. The full InChI is InChI=1S/C25H27N3/c1-3-22(17-20-9-5-4-6-10-20)28-24-12-8-7-11-23(24)27(25(28)26)18-21-15-13-19(2)14-16-21/h4-16,22,26H,3,17-18H2,1-2H3/b26-25-/t22-/m0/s1.
What are the key properties of 1-[(4-methylphenyl)methyl]-3-[(2S)-1-phenylbutan-2-yl]benzimidazol-2-imine?
1-[(4-methylphenyl)methyl]-3-[(2S)-1-phenylbutan-2-yl]benzimidazol-2-imine has a molecular weight of 369.51 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-3-[(2S)-1-phenylbutan-2-yl]benzimidazol-2-imine is sourced from PubChem (CID 155774487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).