(1Z,3E)-5-[2-(1H-benzimidazol-2-yl)phenyl]iminopenta-1,3-dien-1-amine

C18H16N4 — CID 121287803

IUPAC(1Z,3E)-5-[2-(1H-benzimidazol-2-yl)phenyl]iminopenta-1,3-dien-1-amine
SMILESN/C=C\C=C\C=N\c1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C18H16N4/c19-12-6-1-7-13-20-15-9-3-2-8-14(15)18-21-16-10-4-5-11-17(16)22-18/h1-13H,19H2,(H,21,22)/b7-1+,12-6-,20-13+
InChIKeyVBXGVKWAXHDELB-YRBSRSGLSA-N
MW288.35 g/mol
LogP3.96
Rot. Bonds4

About (1Z,3E)-5-[2-(1H-benzimidazol-2-yl)phenyl]iminopenta-1,3-dien-1-amine

(1Z,3E)-5-[2-(1H-benzimidazol-2-yl)phenyl]iminopenta-1,3-dien-1-amine (PubChem CID 121287803) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is (1Z,3E)-5-[2-(1H-benzimidazol-2-yl)phenyl]iminopenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-5-[2-(1H-benzimidazol-2-yl)phenyl]iminopenta-1,3-dien-1-amine
PubChem CID121287803
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name(1Z,3E)-5-[2-(1H-benzimidazol-2-yl)phenyl]iminopenta-1,3-dien-1-amine
SMILESN/C=C\C=C\C=N\c1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C18H16N4/c19-12-6-1-7-13-20-15-9-3-2-8-14(15)18-21-16-10-4-5-11-17(16)22-18/h1-13H,19H2,(H,21,22)/b7-1+,12-6-,20-13+
InChIKeyVBXGVKWAXHDELB-YRBSRSGLSA-N
XLogP3.96
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)phenyl]-1-pyridin-3-ylmethanimine
CID 917406
2-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]-4-bromophenol
CID 5140596
2-(1H-benzimidazol-2-yl)aniline;dihydrochloride
CID 133057606
N'-[2-(1H-benzimidazol-2-yl)phenyl]-2-chloroethanimidamide
CID 169365402
2-[2-(1H-benzimidazol-2-ylmethyl)phenyl]-1H-benzimidazole
CID 86342200
bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+)
CID 139068471
copper bis(2-(1H-benzimidazol-2-yl)phenolate)
CID 134105250
2-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]-4-[(4-nitrophenyl)diazenyl]phenol
CID 177450636
2-(1H-benzimidazol-2-yl)benzamide
CID 23510026
4-[2-(1H-benzimidazol-2-yl)phenyl]imino-2,6-ditert-butylcyclohexa-2,5-dien-1-one
CID 3110761
5-(1H-benzimidazol-2-yl)pyrimidine-2,4-diamine
CID 102284104
2-(1H-benzimidazol-2-yl)benzoate;copper(1+)
CID 174857588

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-5-[2-(1H-benzimidazol-2-yl)phenyl]iminopenta-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-5-[2-(1H-benzimidazol-2-yl)phenyl]iminopenta-1,3-dien-1-amine (CID 121287803) is (1Z,3E)-5-[2-(1H-benzimidazol-2-yl)phenyl]iminopenta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-5-[2-(1H-benzimidazol-2-yl)phenyl]iminopenta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-5-[2-(1H-benzimidazol-2-yl)phenyl]iminopenta-1,3-dien-1-amine is N/C=C\C=C\C=N\c1ccccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of (1Z,3E)-5-[2-(1H-benzimidazol-2-yl)phenyl]iminopenta-1,3-dien-1-amine?
The InChIKey is VBXGVKWAXHDELB-YRBSRSGLSA-N. The full InChI is InChI=1S/C18H16N4/c19-12-6-1-7-13-20-15-9-3-2-8-14(15)18-21-16-10-4-5-11-17(16)22-18/h1-13H,19H2,(H,21,22)/b7-1+,12-6-,20-13+.
What are the key properties of (1Z,3E)-5-[2-(1H-benzimidazol-2-yl)phenyl]iminopenta-1,3-dien-1-amine?
(1Z,3E)-5-[2-(1H-benzimidazol-2-yl)phenyl]iminopenta-1,3-dien-1-amine has a molecular weight of 288.35 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-5-[2-(1H-benzimidazol-2-yl)phenyl]iminopenta-1,3-dien-1-amine is sourced from PubChem (CID 121287803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).