N-[(3-phenoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine

C20H16N4O — CID 4151139

IUPACN-[(3-phenoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine
SMILESC(=NNc1nc2ccccc2[nH]1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H16N4O/c1-2-8-16(9-3-1)25-17-10-6-7-15(13-17)14-21-24-20-22-18-11-4-5-12-19(18)23-20/h1-14H,(H2,22,23,24)
InChIKeyGVCOZZLGDAWONE-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.80
Rot. Bonds5

About N-[(3-phenoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine

N-[(3-phenoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine (PubChem CID 4151139) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[(3-phenoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(3-phenoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine
PubChem CID4151139
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC NameN-[(3-phenoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine
SMILESC(=NNc1nc2ccccc2[nH]1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H16N4O/c1-2-8-16(9-3-1)25-17-10-6-7-15(13-17)14-21-24-20-22-18-11-4-5-12-19(18)23-20/h1-14H,(H2,22,23,24)
InChIKeyGVCOZZLGDAWONE-UHFFFAOYSA-N
XLogP4.80
TPSA62.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[3-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]phenyl] benzenesulfonate
CID 94844790
N-(pyridin-3-ylmethylideneamino)-1H-benzimidazol-2-amine
CID 2852455
N-[(E)-[3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-1H-benzimidazol-2-amine;hydrochloride
CID 163325616
N-[(E)-(4-methylphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 14088787
N-[(Z)-quinolin-6-ylmethylideneamino]-1H-benzimidazol-2-amine
CID 6036074
2-[2-[[3-(4-fluorophenoxy)phenyl]methylidene]hydrazinyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
CID 168573460
N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 110514872
4-[(Z)-(1H-benzimidazol-2-ylhydrazinylidene)methyl]-2-ethoxyphenol
CID 136806309
4-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol
CID 3134920
N-[(Z)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 6266969
N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 6031272
N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1H-benzimidazol-2-amine
CID 4166648

Frequently Asked Questions

What is the IUPAC name of N-[(3-phenoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine?
The IUPAC name of N-[(3-phenoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine (CID 4151139) is N-[(3-phenoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(3-phenoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(3-phenoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine is C(=NNc1nc2ccccc2[nH]1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-[(3-phenoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine?
The InChIKey is GVCOZZLGDAWONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-2-8-16(9-3-1)25-17-10-6-7-15(13-17)14-21-24-20-22-18-11-4-5-12-19(18)23-20/h1-14H,(H2,22,23,24).
What are the key properties of N-[(3-phenoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine?
N-[(3-phenoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine has a molecular weight of 328.38 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine is sourced from PubChem (CID 4151139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).