N-[1-(4-methoxyphenyl)propan-2-ylideneamino]-1H-benzimidazol-2-amine;oxalic acid

C19H20N4O5 — CID 73242970

IUPACN-[1-(4-methoxyphenyl)propan-2-ylideneamino]-1H-benzimidazol-2-amine;oxalic acid
SMILESCOc1ccc(CC(C)=NNc2nc3ccccc3[nH]2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C17H18N4O.C2H2O4/c1-12(11-13-7-9-14(22-2)10-8-13)20-21-17-18-15-5-3-4-6-16(15)19-17;3-1(4)2(5)6/h3-10H,11H2,1-2H3,(H2,18,19,21);(H,3,4)(H,5,6)
InChIKeyUWDNWUVHTXFACW-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.76
Rot. Bonds5

About N-[1-(4-methoxyphenyl)propan-2-ylideneamino]-1H-benzimidazol-2-amine;oxalic acid

N-[1-(4-methoxyphenyl)propan-2-ylideneamino]-1H-benzimidazol-2-amine;oxalic acid (PubChem CID 73242970) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propan-2-ylideneamino]-1H-benzimidazol-2-amine;oxalic acid.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propan-2-ylideneamino]-1H-benzimidazol-2-amine;oxalic acid
PubChem CID73242970
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC NameN-[1-(4-methoxyphenyl)propan-2-ylideneamino]-1H-benzimidazol-2-amine;oxalic acid
SMILESCOc1ccc(CC(C)=NNc2nc3ccccc3[nH]2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C17H18N4O.C2H2O4/c1-12(11-13-7-9-14(22-2)10-8-13)20-21-17-18-15-5-3-4-6-16(15)19-17;3-1(4)2(5)6/h3-10H,11H2,1-2H3,(H2,18,19,21);(H,3,4)(H,5,6)
InChIKeyUWDNWUVHTXFACW-UHFFFAOYSA-N
XLogP2.76
TPSA136.90 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-(4-methoxyphenyl)propan-2-ylideneamino]-1H-benzimidazol-2-amine;oxalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-1-(4-methoxyphenyl)propan-2-ylideneamino]aniline
CID 6005812
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-1H-benzimidazol-2-amine
CID 7912538
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 51158115
2-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)-3-oxobutanenitrile
CID 86977594
N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-1H-benzimidazol-2-amine
CID 5396624
N-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole-2-carboxamide
CID 584328
(2Z)-2-(1H-benzimidazol-2-ylhydrazinylidene)-2-(furan-2-yl)acetic acid
CID 10778432
N-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 18108001
N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methoxyphenyl)acetamide
CID 124873697
N'-(1H-benzimidazol-2-yl)acetohydrazide
CID 14088792
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-2-(3-methoxyphenyl)acetamide
CID 53011843
N-[(E)-[2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)ethylidene]amino]aniline
CID 6520440

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propan-2-ylideneamino]-1H-benzimidazol-2-amine;oxalic acid?
The IUPAC name of N-[1-(4-methoxyphenyl)propan-2-ylideneamino]-1H-benzimidazol-2-amine;oxalic acid (CID 73242970) is N-[1-(4-methoxyphenyl)propan-2-ylideneamino]-1H-benzimidazol-2-amine;oxalic acid.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propan-2-ylideneamino]-1H-benzimidazol-2-amine;oxalic acid?
The canonical SMILES for N-[1-(4-methoxyphenyl)propan-2-ylideneamino]-1H-benzimidazol-2-amine;oxalic acid is COc1ccc(CC(C)=NNc2nc3ccccc3[nH]2)cc1.O=C(O)C(=O)O.
What is the InChIKey of N-[1-(4-methoxyphenyl)propan-2-ylideneamino]-1H-benzimidazol-2-amine;oxalic acid?
The InChIKey is UWDNWUVHTXFACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O.C2H2O4/c1-12(11-13-7-9-14(22-2)10-8-13)20-21-17-18-15-5-3-4-6-16(15)19-17;3-1(4)2(5)6/h3-10H,11H2,1-2H3,(H2,18,19,21);(H,3,4)(H,5,6).
What are the key properties of N-[1-(4-methoxyphenyl)propan-2-ylideneamino]-1H-benzimidazol-2-amine;oxalic acid?
N-[1-(4-methoxyphenyl)propan-2-ylideneamino]-1H-benzimidazol-2-amine;oxalic acid has a molecular weight of 384.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propan-2-ylideneamino]-1H-benzimidazol-2-amine;oxalic acid is sourced from PubChem (CID 73242970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).