2-(1H-benzimidazol-2-yl)-N-(furan-2-ylmethylideneamino)-1-phenylethanimine

C20H16N4O — CID 71951324

IUPAC2-(1H-benzimidazol-2-yl)-N-(furan-2-ylmethylideneamino)-1-phenylethanimine
SMILESC(=NN=C(Cc1nc2ccccc2[nH]1)c1ccccc1)c1ccco1
InChIInChI=1S/C20H16N4O/c1-2-7-15(8-3-1)19(24-21-14-16-9-6-12-25-16)13-20-22-17-10-4-5-11-18(17)23-20/h1-12,14H,13H2,(H,22,23)
InChIKeyBAPRHCQKLQVJSN-UHFFFAOYSA-N
MW328.38 g/mol
LogP4.22
Rot. Bonds5

About 2-(1H-benzimidazol-2-yl)-N-(furan-2-ylmethylideneamino)-1-phenylethanimine

2-(1H-benzimidazol-2-yl)-N-(furan-2-ylmethylideneamino)-1-phenylethanimine (PubChem CID 71951324) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-N-(furan-2-ylmethylideneamino)-1-phenylethanimine.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-N-(furan-2-ylmethylideneamino)-1-phenylethanimine
PubChem CID71951324
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name2-(1H-benzimidazol-2-yl)-N-(furan-2-ylmethylideneamino)-1-phenylethanimine
SMILESC(=NN=C(Cc1nc2ccccc2[nH]1)c1ccccc1)c1ccco1
InChIInChI=1S/C20H16N4O/c1-2-7-15(8-3-1)19(24-21-14-16-9-6-12-25-16)13-20-22-17-10-4-5-11-18(17)23-20/h1-12,14H,13H2,(H,22,23)
InChIKeyBAPRHCQKLQVJSN-UHFFFAOYSA-N
XLogP4.22
TPSA66.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
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

(NZ)-N-[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]hydroxylamine
CID 25344926
(Z)-2-(1H-benzimidazol-2-yl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]-1-phenylethanimine
CID 35580856
N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]cyclopentanimine
CID 4656710
2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-1-phenylprop-2-en-1-one
CID 2861223
4-(1H-benzimidazol-2-ylmethoxy)-N-[(E)-furan-2-ylmethylideneamino]benzamide;molecular hydrogen
CID 172924111
N-(furan-2-ylmethylideneamino)-2-(3-oxo-4H-quinoxalin-2-yl)acetamide
CID 3298414
N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]-1,3-benzothiazol-2-amine
CID 3489613
N-[[2-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)ethylidene]amino]aniline
CID 4621392
N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]-3-nitrobenzamide
CID 5083022
N-[(E)-[2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)ethylidene]amino]aniline
CID 6520440
N-[(Z)-furan-2-ylmethylideneamino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 112538062
2-(1H-benzimidazol-2-yl)acetate
CID 6955878

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-N-(furan-2-ylmethylideneamino)-1-phenylethanimine?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-N-(furan-2-ylmethylideneamino)-1-phenylethanimine (CID 71951324) is 2-(1H-benzimidazol-2-yl)-N-(furan-2-ylmethylideneamino)-1-phenylethanimine.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-N-(furan-2-ylmethylideneamino)-1-phenylethanimine?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-N-(furan-2-ylmethylideneamino)-1-phenylethanimine is C(=NN=C(Cc1nc2ccccc2[nH]1)c1ccccc1)c1ccco1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-N-(furan-2-ylmethylideneamino)-1-phenylethanimine?
The InChIKey is BAPRHCQKLQVJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-2-7-15(8-3-1)19(24-21-14-16-9-6-12-25-16)13-20-22-17-10-4-5-11-18(17)23-20/h1-12,14H,13H2,(H,22,23).
What are the key properties of 2-(1H-benzimidazol-2-yl)-N-(furan-2-ylmethylideneamino)-1-phenylethanimine?
2-(1H-benzimidazol-2-yl)-N-(furan-2-ylmethylideneamino)-1-phenylethanimine has a molecular weight of 328.38 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-N-(furan-2-ylmethylideneamino)-1-phenylethanimine is sourced from PubChem (CID 71951324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).