4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-diphenylaniline

C27H25N3 — CID 97046956

IUPAC4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-diphenylaniline
SMILESCN1c2ccccc2N(C)C1c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H25N3/c1-28-25-15-9-10-16-26(25)29(2)27(28)21-17-19-24(20-18-21)30(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-20,27H,1-2H3
InChIKeyYUDZJTFIRBVGFN-UHFFFAOYSA-N
MW391.52 g/mol
LogP6.74
Rot. Bonds4

About 4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-diphenylaniline

4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-diphenylaniline (PubChem CID 97046956) has the molecular formula C27H25N3 and a molecular weight of 391.52 g/mol. Its IUPAC name is 4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-diphenylaniline
PubChem CID97046956
Molecular FormulaC27H25N3
Molecular Weight391.52 g/mol
Exact Mass391.20
IUPAC Name4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-diphenylaniline
SMILESCN1c2ccccc2N(C)C1c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H25N3/c1-28-25-15-9-10-16-26(25)29(2)27(28)21-17-19-24(20-18-21)30(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-20,27H,1-2H3
InChIKeyYUDZJTFIRBVGFN-UHFFFAOYSA-N
XLogP6.74
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.52
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-diphenylaniline?
The IUPAC name of 4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-diphenylaniline (CID 97046956) is 4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-diphenylaniline?
The canonical SMILES for 4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-diphenylaniline is CN1c2ccccc2N(C)C1c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-diphenylaniline?
The InChIKey is YUDZJTFIRBVGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3/c1-28-25-15-9-10-16-26(25)29(2)27(28)21-17-19-24(20-18-21)30(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-20,27H,1-2H3.
What are the key properties of 4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-diphenylaniline?
4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-diphenylaniline has a molecular weight of 391.52 g/mol, XLogP of 6.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethyl-2H-benzimidazol-2-yl)-N,N-diphenylaniline is sourced from PubChem (CID 97046956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).