3-[2-(3-aminophenyl)-1,3-dihydrobenzimidazol-2-yl]aniline

C19H18N4 — CID 57135903

IUPAC3-[2-(3-aminophenyl)-1,3-dihydrobenzimidazol-2-yl]aniline
SMILESNc1cccc(C2(c3cccc(N)c3)Nc3ccccc3N2)c1
InChIInChI=1S/C19H18N4/c20-15-7-3-5-13(11-15)19(14-6-4-8-16(21)12-14)22-17-9-1-2-10-18(17)23-19/h1-12,22-23H,20-21H2
InChIKeyPANHHKUPCSCEMV-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.59
Rot. Bonds2

About 3-[2-(3-aminophenyl)-1,3-dihydrobenzimidazol-2-yl]aniline

3-[2-(3-aminophenyl)-1,3-dihydrobenzimidazol-2-yl]aniline (PubChem CID 57135903) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-[2-(3-aminophenyl)-1,3-dihydrobenzimidazol-2-yl]aniline.

Molecular Properties

Compound Name3-[2-(3-aminophenyl)-1,3-dihydrobenzimidazol-2-yl]aniline
PubChem CID57135903
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC Name3-[2-(3-aminophenyl)-1,3-dihydrobenzimidazol-2-yl]aniline
SMILESNc1cccc(C2(c3cccc(N)c3)Nc3ccccc3N2)c1
InChIInChI=1S/C19H18N4/c20-15-7-3-5-13(11-15)19(14-6-4-8-16(21)12-14)22-17-9-1-2-10-18(17)23-19/h1-12,22-23H,20-21H2
InChIKeyPANHHKUPCSCEMV-UHFFFAOYSA-N
XLogP3.59
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzene-1,3-diamine
CID 7935
3-(1-aminocyclopentyl)aniline
CID 117047301
benzene-1,3-diamine;hydron
CID 174403382
benzene-1,3-diamine;zinc
CID 175999138
benzene-1,3-diamine;hydrate
CID 133188498
4-(3-aminophenyl)piperidine-4-carboxylic acid
CID 103194003
3-[1-(aminomethyl)cyclopropyl]aniline
CID 82275301
3-[2-(3-aminophenyl)-1,3-dithian-2-yl]aniline
CID 11185739
ethane;3-(2-methyl-1,3-dioxolan-2-yl)aniline
CID 142184021
benzene-1,3-diamine;hydron;dichloride
CID 74764421
2-iodo-2-phenyl-1,3-dihydrobenzimidazole
CID 174916571
1-(3-aminophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 14068945

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-aminophenyl)-1,3-dihydrobenzimidazol-2-yl]aniline?
The IUPAC name of 3-[2-(3-aminophenyl)-1,3-dihydrobenzimidazol-2-yl]aniline (CID 57135903) is 3-[2-(3-aminophenyl)-1,3-dihydrobenzimidazol-2-yl]aniline.
What is the SMILES notation for 3-[2-(3-aminophenyl)-1,3-dihydrobenzimidazol-2-yl]aniline?
The canonical SMILES for 3-[2-(3-aminophenyl)-1,3-dihydrobenzimidazol-2-yl]aniline is Nc1cccc(C2(c3cccc(N)c3)Nc3ccccc3N2)c1.
What is the InChIKey of 3-[2-(3-aminophenyl)-1,3-dihydrobenzimidazol-2-yl]aniline?
The InChIKey is PANHHKUPCSCEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4/c20-15-7-3-5-13(11-15)19(14-6-4-8-16(21)12-14)22-17-9-1-2-10-18(17)23-19/h1-12,22-23H,20-21H2.
What are the key properties of 3-[2-(3-aminophenyl)-1,3-dihydrobenzimidazol-2-yl]aniline?
3-[2-(3-aminophenyl)-1,3-dihydrobenzimidazol-2-yl]aniline has a molecular weight of 302.38 g/mol, XLogP of 3.59, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-aminophenyl)-1,3-dihydrobenzimidazol-2-yl]aniline is sourced from PubChem (CID 57135903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).