N-[(E)-1-(furan-2-yl)ethylideneamino]-1-methylbenzimidazol-2-amine;1-methyl-N-[(E)-1-(1-methylimidazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzimidazol-2-amine

C82H85N29O2S2 — CID 172940742

IUPACN-[(E)-1-(furan-2-yl)ethylideneamino]-1-methylbenzimidazol-2-amine;1-methyl-N-[(E)-1-(1-methylimidazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzimidazol-2-amine
SMILESC/C(=N\Nc1nc2ccccc2n1C)c1ccc[nH]1.C/C(=N\Nc1nc2ccccc2n1C)c1ccco1.C/C(=N\Nc1nc2ccccc2n1C)c1cccs1.C/C(=N\Nc1nc2ccccc2n1C)c1nccn1C.C/C(=N\Nc1nc2ccccc2n1C)c1ncco1.C/C(=N\Nc1nc2ccccc2n1C)c1nccs1
InChIInChI=1S/C14H16N6.C14H15N5.C14H14N4O.C14H14N4S.C13H13N5O.C13H13N5S/c1-10(13-15-8-9-19(13)2)17-18-14-16-11-6-4-5-7-12(11)20(14)3;1-10(11-7-5-9-15-11)17-18-14-16-12-6-3-4-8-13(12)19(14)2;2*1-10(13-8-5-9-19-13)16-17-14-15-11-6-3-4-7-12(11)18(14)2;2*1-9(12-14-7-8-19-12)16-17-13-15-10-5-3-4-6-11(10)18(13)2/h4-9H,1-3H3,(H,16,18);3-9,15H,1-2H3,(H,16,18);2*3-9H,1-2H3,(H,15,17);2*3-8H,1-2H3,(H,15,17)/b2*17-10+;2*16-10+;2*16-9+
InChIKeyKFGOCRRXZRXGKQ-PBHXIYNMSA-N
MW1572.92 g/mol
LogP16.62
Rot. Bonds18

About N-[(E)-1-(furan-2-yl)ethylideneamino]-1-methylbenzimidazol-2-amine;1-methyl-N-[(E)-1-(1-methylimidazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzimidazol-2-amine

N-[(E)-1-(furan-2-yl)ethylideneamino]-1-methylbenzimidazol-2-amine;1-methyl-N-[(E)-1-(1-methylimidazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzimidazol-2-amine (PubChem CID 172940742) has the molecular formula C82H85N29O2S2 and a molecular weight of 1572.92 g/mol. Its IUPAC name is N-[(E)-1-(furan-2-yl)ethylideneamino]-1-methylbenzimidazol-2-amine;1-methyl-N-[(E)-1-(1-methylimidazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(E)-1-(furan-2-yl)ethylideneamino]-1-methylbenzimidazol-2-amine;1-methyl-N-[(E)-1-(1-methylimidazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzimidazol-2-amine
PubChem CID172940742
Molecular FormulaC82H85N29O2S2
Molecular Weight1572.92 g/mol
Exact Mass1571.69
IUPAC NameN-[(E)-1-(furan-2-yl)ethylideneamino]-1-methylbenzimidazol-2-amine;1-methyl-N-[(E)-1-(1-methylimidazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzimidazol-2-amine
SMILESC/C(=N\Nc1nc2ccccc2n1C)c1ccc[nH]1.C/C(=N\Nc1nc2ccccc2n1C)c1ccco1.C/C(=N\Nc1nc2ccccc2n1C)c1cccs1.C/C(=N\Nc1nc2ccccc2n1C)c1nccn1C.C/C(=N\Nc1nc2ccccc2n1C)c1ncco1.C/C(=N\Nc1nc2ccccc2n1C)c1nccs1
InChIInChI=1S/C14H16N6.C14H15N5.C14H14N4O.C14H14N4S.C13H13N5O.C13H13N5S/c1-10(13-15-8-9-19(13)2)17-18-14-16-11-6-4-5-7-12(11)20(14)3;1-10(11-7-5-9-15-11)17-18-14-16-12-6-3-4-8-13(12)19(14)2;2*1-10(13-8-5-9-19-13)16-17-14-15-11-6-3-4-7-12(11)18(14)2;2*1-9(12-14-7-8-19-12)16-17-13-15-10-5-3-4-6-11(10)18(13)2/h4-9H,1-3H3,(H,16,18);3-9,15H,1-2H3,(H,16,18);2*3-9H,1-2H3,(H,15,17);2*3-8H,1-2H3,(H,15,17)/b2*17-10+;2*16-10+;2*16-9+
InChIKeyKFGOCRRXZRXGKQ-PBHXIYNMSA-N
XLogP16.62
TPSA338.93 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds18
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001572.92
LogP ≤ 516.62
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze N-[(E)-1-(furan-2-yl)ethylideneamino]-1-methylbenzimidazol-2-amine;1-methyl-N-[(E)-1-(1-methylimidazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzimidazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(furan-2-yl)ethylideneamino]-1-methylbenzimidazol-2-amine;1-methyl-N-[(E)-1-(1-methylimidazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzimidazol-2-amine?
The IUPAC name of N-[(E)-1-(furan-2-yl)ethylideneamino]-1-methylbenzimidazol-2-amine;1-methyl-N-[(E)-1-(1-methylimidazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzimidazol-2-amine (CID 172940742) is N-[(E)-1-(furan-2-yl)ethylideneamino]-1-methylbenzimidazol-2-amine;1-methyl-N-[(E)-1-(1-methylimidazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzimidazol-2-amine.
What is the SMILES notation for N-[(E)-1-(furan-2-yl)ethylideneamino]-1-methylbenzimidazol-2-amine;1-methyl-N-[(E)-1-(1-methylimidazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzimidazol-2-amine?
The canonical SMILES for N-[(E)-1-(furan-2-yl)ethylideneamino]-1-methylbenzimidazol-2-amine;1-methyl-N-[(E)-1-(1-methylimidazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzimidazol-2-amine is C/C(=N\Nc1nc2ccccc2n1C)c1ccc[nH]1.C/C(=N\Nc1nc2ccccc2n1C)c1ccco1.C/C(=N\Nc1nc2ccccc2n1C)c1cccs1.C/C(=N\Nc1nc2ccccc2n1C)c1nccn1C.C/C(=N\Nc1nc2ccccc2n1C)c1ncco1.C/C(=N\Nc1nc2ccccc2n1C)c1nccs1.
What is the InChIKey of N-[(E)-1-(furan-2-yl)ethylideneamino]-1-methylbenzimidazol-2-amine;1-methyl-N-[(E)-1-(1-methylimidazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzimidazol-2-amine?
The InChIKey is KFGOCRRXZRXGKQ-PBHXIYNMSA-N. The full InChI is InChI=1S/C14H16N6.C14H15N5.C14H14N4O.C14H14N4S.C13H13N5O.C13H13N5S/c1-10(13-15-8-9-19(13)2)17-18-14-16-11-6-4-5-7-12(11)20(14)3;1-10(11-7-5-9-15-11)17-18-14-16-12-6-3-4-8-13(12)19(14)2;2*1-10(13-8-5-9-19-13)16-17-14-15-11-6-3-4-7-12(11)18(14)2;2*1-9(12-14-7-8-19-12)16-17-13-15-10-5-3-4-6-11(10)18(13)2/h4-9H,1-3H3,(H,16,18);3-9,15H,1-2H3,(H,16,18);2*3-9H,1-2H3,(H,15,17);2*3-8H,1-2H3,(H,15,17)/b2*17-10+;2*16-10+;2*16-9+.
What are the key properties of N-[(E)-1-(furan-2-yl)ethylideneamino]-1-methylbenzimidazol-2-amine;1-methyl-N-[(E)-1-(1-methylimidazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzimidazol-2-amine?
N-[(E)-1-(furan-2-yl)ethylideneamino]-1-methylbenzimidazol-2-amine;1-methyl-N-[(E)-1-(1-methylimidazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzimidazol-2-amine has a molecular weight of 1572.92 g/mol, XLogP of 16.62, 18 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(furan-2-yl)ethylideneamino]-1-methylbenzimidazol-2-amine;1-methyl-N-[(E)-1-(1-methylimidazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzimidazol-2-amine is sourced from PubChem (CID 172940742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).