3-(1-methylbenzimidazol-2-yl)-N-phenyl-N-(3-pyrazol-1-ylphenyl)aniline

C29H23N5 — CID 58704225

IUPAC3-(1-methylbenzimidazol-2-yl)-N-phenyl-N-(3-pyrazol-1-ylphenyl)aniline
SMILESCn1c(-c2cccc(N(c3ccccc3)c3cccc(-n4cccn4)c3)c2)nc2ccccc21
InChIInChI=1S/C29H23N5/c1-32-28-17-6-5-16-27(28)31-29(32)22-10-7-14-25(20-22)34(23-11-3-2-4-12-23)26-15-8-13-24(21-26)33-19-9-18-30-33/h2-21H,1H3
InChIKeyVMLBAESBVRGQHS-UHFFFAOYSA-N
MW441.54 g/mol
LogP6.90
Rot. Bonds5

About 3-(1-methylbenzimidazol-2-yl)-N-phenyl-N-(3-pyrazol-1-ylphenyl)aniline

3-(1-methylbenzimidazol-2-yl)-N-phenyl-N-(3-pyrazol-1-ylphenyl)aniline (PubChem CID 58704225) has the molecular formula C29H23N5 and a molecular weight of 441.54 g/mol. Its IUPAC name is 3-(1-methylbenzimidazol-2-yl)-N-phenyl-N-(3-pyrazol-1-ylphenyl)aniline.

Molecular Properties

Compound Name3-(1-methylbenzimidazol-2-yl)-N-phenyl-N-(3-pyrazol-1-ylphenyl)aniline
PubChem CID58704225
Molecular FormulaC29H23N5
Molecular Weight441.54 g/mol
Exact Mass441.20
IUPAC Name3-(1-methylbenzimidazol-2-yl)-N-phenyl-N-(3-pyrazol-1-ylphenyl)aniline
SMILESCn1c(-c2cccc(N(c3ccccc3)c3cccc(-n4cccn4)c3)c2)nc2ccccc21
InChIInChI=1S/C29H23N5/c1-32-28-17-6-5-16-27(28)31-29(32)22-10-7-14-25(20-22)34(23-11-3-2-4-12-23)26-15-8-13-24(21-26)33-19-9-18-30-33/h2-21H,1H3
InChIKeyVMLBAESBVRGQHS-UHFFFAOYSA-N
XLogP6.90
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.54
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diphenyl-3-(1-phenylbenzimidazol-2-yl)aniline
CID 146339319
N-[3-(1-methylbenzimidazol-2-yl)phenyl]-N,2,3-triphenyl-1-pyridin-2-ylindol-6-amine
CID 140933281
1-methyl-2-(3-pyrrol-1-ylphenyl)benzimidazole
CID 141305843
N-[3-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenyl]-N-phenyl-3-(1-phenylimidazol-2-yl)aniline
CID 140594023
N-[4-[1-(3-methylphenyl)benzimidazol-2-yl]phenyl]-N,4-diphenylaniline
CID 71143072
1-methyl-2-(3-piperazin-1-ylphenyl)benzimidazole
CID 59568337
4-methyl-N,N-diphenylaniline;1-methyl-2-(4-methylphenyl)benzimidazole;9-(4-methylphenyl)carbazole;N-(4-methylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine;N-(4-methylphenyl)-N-phenylnaphthalen-1-amine;N-(4-methylphenyl)-N-phenylnaphthalen-2-amine
CID 160621708
4-(4-methoxy-N-[3-(2-phenylbenzimidazol-1-yl)phenyl]anilino)phenol
CID 146339363
1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4-phenylphenyl]phenyl]benzimidazole
CID 175716577
1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4,5-diphenylphenyl]phenyl]benzimidazole
CID 175716634
N,N,N'-trimethyl-N'-[1-[3-(1-methylbenzimidazol-2-yl)phenyl]piperidin-4-yl]ethane-1,2-diamine
CID 59568340
N-(4-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(3-phenylbenzo[f]benzimidazol-2-yl)phenyl]aniline
CID 163479113

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylbenzimidazol-2-yl)-N-phenyl-N-(3-pyrazol-1-ylphenyl)aniline?
The IUPAC name of 3-(1-methylbenzimidazol-2-yl)-N-phenyl-N-(3-pyrazol-1-ylphenyl)aniline (CID 58704225) is 3-(1-methylbenzimidazol-2-yl)-N-phenyl-N-(3-pyrazol-1-ylphenyl)aniline.
What is the SMILES notation for 3-(1-methylbenzimidazol-2-yl)-N-phenyl-N-(3-pyrazol-1-ylphenyl)aniline?
The canonical SMILES for 3-(1-methylbenzimidazol-2-yl)-N-phenyl-N-(3-pyrazol-1-ylphenyl)aniline is Cn1c(-c2cccc(N(c3ccccc3)c3cccc(-n4cccn4)c3)c2)nc2ccccc21.
What is the InChIKey of 3-(1-methylbenzimidazol-2-yl)-N-phenyl-N-(3-pyrazol-1-ylphenyl)aniline?
The InChIKey is VMLBAESBVRGQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N5/c1-32-28-17-6-5-16-27(28)31-29(32)22-10-7-14-25(20-22)34(23-11-3-2-4-12-23)26-15-8-13-24(21-26)33-19-9-18-30-33/h2-21H,1H3.
What are the key properties of 3-(1-methylbenzimidazol-2-yl)-N-phenyl-N-(3-pyrazol-1-ylphenyl)aniline?
3-(1-methylbenzimidazol-2-yl)-N-phenyl-N-(3-pyrazol-1-ylphenyl)aniline has a molecular weight of 441.54 g/mol, XLogP of 6.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylbenzimidazol-2-yl)-N-phenyl-N-(3-pyrazol-1-ylphenyl)aniline is sourced from PubChem (CID 58704225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).