N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3,4-dimethoxybenzamide

C18H18N4O3 — CID 135768548

IUPACN-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C(\C)c2nc3ccccc3[nH]2)cc1OC
InChIInChI=1S/C18H18N4O3/c1-11(17-19-13-6-4-5-7-14(13)20-17)21-22-18(23)12-8-9-15(24-2)16(10-12)25-3/h4-10H,1-3H3,(H,19,20)(H,22,23)/b21-11+
InChIKeyPNESVJJJDRKHPX-SRZZPIQSSA-N
MW338.37 g/mol
LogP2.73
Rot. Bonds5

About N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3,4-dimethoxybenzamide

N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3,4-dimethoxybenzamide (PubChem CID 135768548) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3,4-dimethoxybenzamide
PubChem CID135768548
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C(\C)c2nc3ccccc3[nH]2)cc1OC
InChIInChI=1S/C18H18N4O3/c1-11(17-19-13-6-4-5-7-14(13)20-17)21-22-18(23)12-8-9-15(24-2)16(10-12)25-3/h4-10H,1-3H3,(H,19,20)(H,22,23)/b21-11+
InChIKeyPNESVJJJDRKHPX-SRZZPIQSSA-N
XLogP2.73
TPSA88.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.73
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

1-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3-hydroxyurea
CID 135580435
N-[(E)-1-(1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)ethenyl]benzamide
CID 5334230
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 2156760
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3543843
N-[1-(1H-benzimidazol-2-yl)ethylideneamino]-2-cyanoacetamide
CID 137304921
3,4-dimethoxy-N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzamide
CID 6180512
N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 51143987
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,4-dimethoxybenzamide
CID 55812543
N-[1-(2,4-dimethylphenyl)ethylideneamino]-3,4-dimethoxybenzamide
CID 3627864
4-bromo-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 4085100
N-[7-(1H-benzimidazol-2-yl)-3H-azepin-2-yl]-3,4-dimethoxybenzamide
CID 143409158
N-(dipyridin-2-ylmethylideneamino)-3,4-dimethoxybenzamide
CID 162738459

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3,4-dimethoxybenzamide?
The IUPAC name of N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3,4-dimethoxybenzamide (CID 135768548) is N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3,4-dimethoxybenzamide is COc1ccc(C(=O)N/N=C(\C)c2nc3ccccc3[nH]2)cc1OC.
What is the InChIKey of N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3,4-dimethoxybenzamide?
The InChIKey is PNESVJJJDRKHPX-SRZZPIQSSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-11(17-19-13-6-4-5-7-14(13)20-17)21-22-18(23)12-8-9-15(24-2)16(10-12)25-3/h4-10H,1-3H3,(H,19,20)(H,22,23)/b21-11+.
What are the key properties of N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3,4-dimethoxybenzamide?
N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3,4-dimethoxybenzamide has a molecular weight of 338.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3,4-dimethoxybenzamide is sourced from PubChem (CID 135768548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).