1H-benzimidazole;N,N-diphenylaniline

C25H21N3 — CID 174937670

IUPAC1H-benzimidazole;N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc2[nH]cnc2c1
InChIInChI=1S/C18H15N.C7H6N2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-7-6(3-1)8-5-9-7/h1-15H;1-5H,(H,8,9)
InChIKeyDMBPRUNYHKPNQI-UHFFFAOYSA-N
MW363.46 g/mol
LogP6.72
Rot. Bonds3

About 1H-benzimidazole;N,N-diphenylaniline

1H-benzimidazole;N,N-diphenylaniline (PubChem CID 174937670) has the molecular formula C25H21N3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1H-benzimidazole;N,N-diphenylaniline.

Molecular Properties

Compound Name1H-benzimidazole;N,N-diphenylaniline
PubChem CID174937670
Molecular FormulaC25H21N3
Molecular Weight363.46 g/mol
Exact Mass363.17
IUPAC Name1H-benzimidazole;N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc2[nH]cnc2c1
InChIInChI=1S/C18H15N.C7H6N2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-7-6(3-1)8-5-9-7/h1-15H;1-5H,(H,8,9)
InChIKeyDMBPRUNYHKPNQI-UHFFFAOYSA-N
XLogP6.72
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

disilver;1H-benzimidazole
CID 21437015
bis(1H-benzimidazole);hydrate
CID 23293238
bis(1H-benzimidazole);hydrochloride
CID 163717509
1H-benzimidazole;manganese
CID 158140840
1H-benzimidazole;zinc
CID 162235320
calcium;1H-benzimidazole;hydride
CID 174891856
1H-benzimidazole;propane;hydroiodide
CID 172791937
1H-benzimidazole;cyclopropene
CID 175111337
bis(1H-benzimidazole);dichlorocopper
CID 11984972
1H-benzimidazole;ethane;molecular hydrogen
CID 142113314
1H-benzimidazole;1,2-diphenylbenzene
CID 174973053
benzene-1,3,5-triol;1H-benzimidazole
CID 129097298

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;N,N-diphenylaniline?
The IUPAC name of 1H-benzimidazole;N,N-diphenylaniline (CID 174937670) is 1H-benzimidazole;N,N-diphenylaniline.
What is the SMILES notation for 1H-benzimidazole;N,N-diphenylaniline?
The canonical SMILES for 1H-benzimidazole;N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccccc2)cc1.c1ccc2[nH]cnc2c1.
What is the InChIKey of 1H-benzimidazole;N,N-diphenylaniline?
The InChIKey is DMBPRUNYHKPNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N.C7H6N2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-4-7-6(3-1)8-5-9-7/h1-15H;1-5H,(H,8,9).
What are the key properties of 1H-benzimidazole;N,N-diphenylaniline?
1H-benzimidazole;N,N-diphenylaniline has a molecular weight of 363.46 g/mol, XLogP of 6.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;N,N-diphenylaniline is sourced from PubChem (CID 174937670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).