N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-1H-benzimidazol-2-amine

C17H18N4O2 — CID 7912538

IUPACN-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-1H-benzimidazol-2-amine
SMILESCOc1ccc(/C(C)=N\Nc2nc3ccccc3[nH]2)c(OC)c1
InChIInChI=1S/C17H18N4O2/c1-11(13-9-8-12(22-2)10-16(13)23-3)20-21-17-18-14-6-4-5-7-15(14)19-17/h4-10H,1-3H3,(H2,18,19,21)/b20-11-
InChIKeyPKAOIYPZUUSFBB-JAIQZWGSSA-N
MW310.36 g/mol
LogP3.42
Rot. Bonds5

About N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-1H-benzimidazol-2-amine

N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-1H-benzimidazol-2-amine (PubChem CID 7912538) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-1H-benzimidazol-2-amine
PubChem CID7912538
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-1H-benzimidazol-2-amine
SMILESCOc1ccc(/C(C)=N\Nc2nc3ccccc3[nH]2)c(OC)c1
InChIInChI=1S/C17H18N4O2/c1-11(13-9-8-12(22-2)10-16(13)23-3)20-21-17-18-14-6-4-5-7-15(14)19-17/h4-10H,1-3H3,(H2,18,19,21)/b20-11-
InChIKeyPKAOIYPZUUSFBB-JAIQZWGSSA-N
XLogP3.42
TPSA71.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-benzimidazol-2-yl)-2,4-dimethoxybenzamide
CID 4695097
N-[1-(4-methoxyphenyl)propan-2-ylideneamino]-1H-benzimidazol-2-amine;oxalic acid
CID 73242970
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(trifluoromethyl)quinazolin-4-amine
CID 8982089
2-bromo-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]aniline
CID 2827315
N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-1H-benzimidazol-2-amine
CID 4051864
N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1H-benzimidazol-2-amine
CID 135558240
N-[1-(2,6-difluorophenyl)ethylideneamino]-1H-benzimidazol-2-amine
CID 3966393
N-[(Z)-1-(3-chlorophenyl)ethylideneamino]-1H-benzimidazol-2-amine
CID 6085973
2-amino-N-(1H-benzimidazol-2-yl)-4-methoxybenzamide
CID 115413254
N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-1H-benzimidazol-2-amine
CID 5396624
2-[(2Z)-2-[1-(2,5-dimethoxyphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135609452
2-[2-[1-(2,5-dimethoxyphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135475039

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-1H-benzimidazol-2-amine?
The IUPAC name of N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-1H-benzimidazol-2-amine (CID 7912538) is N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-1H-benzimidazol-2-amine is COc1ccc(/C(C)=N\Nc2nc3ccccc3[nH]2)c(OC)c1.
What is the InChIKey of N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-1H-benzimidazol-2-amine?
The InChIKey is PKAOIYPZUUSFBB-JAIQZWGSSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11(13-9-8-12(22-2)10-16(13)23-3)20-21-17-18-14-6-4-5-7-15(14)19-17/h4-10H,1-3H3,(H2,18,19,21)/b20-11-.
What are the key properties of N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-1H-benzimidazol-2-amine?
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-1H-benzimidazol-2-amine has a molecular weight of 310.36 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-1H-benzimidazol-2-amine is sourced from PubChem (CID 7912538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).