N-[(4,8-dimethoxynaphthalen-1-yl)methylideneamino]-1H-benzimidazol-2-amine

C20H18N4O2 — CID 3712194

IUPACN-[(4,8-dimethoxynaphthalen-1-yl)methylideneamino]-1H-benzimidazol-2-amine
SMILESCOc1ccc(C=NNc2nc3ccccc3[nH]2)c2c(OC)cccc12
InChIInChI=1S/C20H18N4O2/c1-25-17-11-10-13(19-14(17)6-5-9-18(19)26-2)12-21-24-20-22-15-7-3-4-8-16(15)23-20/h3-12H,1-2H3,(H2,22,23,24)
InChIKeyJJWSDOVNHOPDRC-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.18
Rot. Bonds5

About N-[(4,8-dimethoxynaphthalen-1-yl)methylideneamino]-1H-benzimidazol-2-amine

N-[(4,8-dimethoxynaphthalen-1-yl)methylideneamino]-1H-benzimidazol-2-amine (PubChem CID 3712194) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[(4,8-dimethoxynaphthalen-1-yl)methylideneamino]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(4,8-dimethoxynaphthalen-1-yl)methylideneamino]-1H-benzimidazol-2-amine
PubChem CID3712194
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-[(4,8-dimethoxynaphthalen-1-yl)methylideneamino]-1H-benzimidazol-2-amine
SMILESCOc1ccc(C=NNc2nc3ccccc3[nH]2)c2c(OC)cccc12
InChIInChI=1S/C20H18N4O2/c1-25-17-11-10-13(19-14(17)6-5-9-18(19)26-2)12-21-24-20-22-15-7-3-4-8-16(15)23-20/h3-12H,1-2H3,(H2,22,23,24)
InChIKeyJJWSDOVNHOPDRC-UHFFFAOYSA-N
XLogP4.18
TPSA71.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.18
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-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine;2-ethoxyprop-1-ene
CID 143204728
N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 6031902
2-[(2E)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 135697070
N-[(Z)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 6266969
2-[(E)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-6-methoxy-4-nitrophenol
CID 135492228
[2-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate
CID 94844792
N-[(Z)-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]-6-methyl-1H-benzimidazol-2-amine
CID 110511995
4-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol
CID 3134920
N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1H-benzimidazol-2-amine
CID 21370286
N-[(E)-(4-methylphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 14088787
N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]acridin-9-amine
CID 45481473
N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1H-benzimidazol-2-amine
CID 4221591

Frequently Asked Questions

What is the IUPAC name of N-[(4,8-dimethoxynaphthalen-1-yl)methylideneamino]-1H-benzimidazol-2-amine?
The IUPAC name of N-[(4,8-dimethoxynaphthalen-1-yl)methylideneamino]-1H-benzimidazol-2-amine (CID 3712194) is N-[(4,8-dimethoxynaphthalen-1-yl)methylideneamino]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(4,8-dimethoxynaphthalen-1-yl)methylideneamino]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(4,8-dimethoxynaphthalen-1-yl)methylideneamino]-1H-benzimidazol-2-amine is COc1ccc(C=NNc2nc3ccccc3[nH]2)c2c(OC)cccc12.
What is the InChIKey of N-[(4,8-dimethoxynaphthalen-1-yl)methylideneamino]-1H-benzimidazol-2-amine?
The InChIKey is JJWSDOVNHOPDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-25-17-11-10-13(19-14(17)6-5-9-18(19)26-2)12-21-24-20-22-15-7-3-4-8-16(15)23-20/h3-12H,1-2H3,(H2,22,23,24).
What are the key properties of N-[(4,8-dimethoxynaphthalen-1-yl)methylideneamino]-1H-benzimidazol-2-amine?
N-[(4,8-dimethoxynaphthalen-1-yl)methylideneamino]-1H-benzimidazol-2-amine has a molecular weight of 346.39 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,8-dimethoxynaphthalen-1-yl)methylideneamino]-1H-benzimidazol-2-amine is sourced from PubChem (CID 3712194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).