4-(3-aminophenyl)-3-(1H-benzimidazol-2-yl)aniline

C19H16N4 — CID 141467779

IUPAC4-(3-aminophenyl)-3-(1H-benzimidazol-2-yl)aniline
SMILESNc1cccc(-c2ccc(N)cc2-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C19H16N4/c20-13-5-3-4-12(10-13)15-9-8-14(21)11-16(15)19-22-17-6-1-2-7-18(17)23-19/h1-11H,20-21H2,(H,22,23)
InChIKeyKFXNPLSFXMXRRJ-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.06
Rot. Bonds2

About 4-(3-aminophenyl)-3-(1H-benzimidazol-2-yl)aniline

4-(3-aminophenyl)-3-(1H-benzimidazol-2-yl)aniline (PubChem CID 141467779) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 4-(3-aminophenyl)-3-(1H-benzimidazol-2-yl)aniline.

Molecular Properties

Compound Name4-(3-aminophenyl)-3-(1H-benzimidazol-2-yl)aniline
PubChem CID141467779
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name4-(3-aminophenyl)-3-(1H-benzimidazol-2-yl)aniline
SMILESNc1cccc(-c2ccc(N)cc2-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C19H16N4/c20-13-5-3-4-12(10-13)15-9-8-14(21)11-16(15)19-22-17-6-1-2-7-18(17)23-19/h1-11H,20-21H2,(H,22,23)
InChIKeyKFXNPLSFXMXRRJ-UHFFFAOYSA-N
XLogP4.06
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(1H-benzimidazol-2-yl)phenol
CID 135578129
2-(2-phenylphenyl)-3H-benzimidazol-5-amine
CID 11150323
3-[6-[2-(3-aminophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]aniline
CID 4644404
2-(2-chloro-4-phenylphenyl)-1H-benzimidazole
CID 168554361
3-[2-(1H-benzimidazol-2-yl)phenyl]benzonitrile
CID 168554018
2-(2-chloro-5-phenyl-4-pyridinyl)-1H-benzimidazole
CID 58037969
2-(1H-benzimidazol-2-yl)aniline;dihydrochloride
CID 133057606
2-amino-6-(1H-benzimidazol-2-yl)-4-(3-chlorophenyl)pyridine-3-carbonitrile
CID 73346261
2,6-bis(1H-benzimidazol-2-yl)-4-[3,5-bis(1H-benzimidazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797671
2-phenyl-1H-benzimidazole;zinc
CID 174639851
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-3-(1H-benzimidazol-2-yl)aniline?
The IUPAC name of 4-(3-aminophenyl)-3-(1H-benzimidazol-2-yl)aniline (CID 141467779) is 4-(3-aminophenyl)-3-(1H-benzimidazol-2-yl)aniline.
What is the SMILES notation for 4-(3-aminophenyl)-3-(1H-benzimidazol-2-yl)aniline?
The canonical SMILES for 4-(3-aminophenyl)-3-(1H-benzimidazol-2-yl)aniline is Nc1cccc(-c2ccc(N)cc2-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of 4-(3-aminophenyl)-3-(1H-benzimidazol-2-yl)aniline?
The InChIKey is KFXNPLSFXMXRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c20-13-5-3-4-12(10-13)15-9-8-14(21)11-16(15)19-22-17-6-1-2-7-18(17)23-19/h1-11H,20-21H2,(H,22,23).
What are the key properties of 4-(3-aminophenyl)-3-(1H-benzimidazol-2-yl)aniline?
4-(3-aminophenyl)-3-(1H-benzimidazol-2-yl)aniline has a molecular weight of 300.37 g/mol, XLogP of 4.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-3-(1H-benzimidazol-2-yl)aniline is sourced from PubChem (CID 141467779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).