(Z)-1-N-methyl-2-N-(1-phenylbenzimidazol-5-yl)pent-3-ene-1,2-diimine

C19H18N4 — CID 91558483

IUPAC(Z)-1-N-methyl-2-N-(1-phenylbenzimidazol-5-yl)pent-3-ene-1,2-diimine
SMILESC/C=C\C(\C=N\C)=N\c1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C19H18N4/c1-3-7-16(13-20-2)22-15-10-11-19-18(12-15)21-14-23(19)17-8-5-4-6-9-17/h3-14H,1-2H3/b7-3-,20-13+,22-16-
InChIKeyDTDQBZYOEWRINN-WDSPJTPLSA-N
MW302.38 g/mol
LogP4.37
Rot. Bonds4

About (Z)-1-N-methyl-2-N-(1-phenylbenzimidazol-5-yl)pent-3-ene-1,2-diimine

(Z)-1-N-methyl-2-N-(1-phenylbenzimidazol-5-yl)pent-3-ene-1,2-diimine (PubChem CID 91558483) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is (Z)-1-N-methyl-2-N-(1-phenylbenzimidazol-5-yl)pent-3-ene-1,2-diimine.

Molecular Properties

Compound Name(Z)-1-N-methyl-2-N-(1-phenylbenzimidazol-5-yl)pent-3-ene-1,2-diimine
PubChem CID91558483
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC Name(Z)-1-N-methyl-2-N-(1-phenylbenzimidazol-5-yl)pent-3-ene-1,2-diimine
SMILESC/C=C\C(\C=N\C)=N\c1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C19H18N4/c1-3-7-16(13-20-2)22-15-10-11-19-18(12-15)21-14-23(19)17-8-5-4-6-9-17/h3-14H,1-2H3/b7-3-,20-13+,22-16-
InChIKeyDTDQBZYOEWRINN-WDSPJTPLSA-N
XLogP4.37
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-methyl-2-N-(1-phenylbenzimidazol-5-yl)pent-3-ene-1,2-diimine?
The IUPAC name of (Z)-1-N-methyl-2-N-(1-phenylbenzimidazol-5-yl)pent-3-ene-1,2-diimine (CID 91558483) is (Z)-1-N-methyl-2-N-(1-phenylbenzimidazol-5-yl)pent-3-ene-1,2-diimine.
What is the SMILES notation for (Z)-1-N-methyl-2-N-(1-phenylbenzimidazol-5-yl)pent-3-ene-1,2-diimine?
The canonical SMILES for (Z)-1-N-methyl-2-N-(1-phenylbenzimidazol-5-yl)pent-3-ene-1,2-diimine is C/C=C\C(\C=N\C)=N\c1ccc2c(c1)ncn2-c1ccccc1.
What is the InChIKey of (Z)-1-N-methyl-2-N-(1-phenylbenzimidazol-5-yl)pent-3-ene-1,2-diimine?
The InChIKey is DTDQBZYOEWRINN-WDSPJTPLSA-N. The full InChI is InChI=1S/C19H18N4/c1-3-7-16(13-20-2)22-15-10-11-19-18(12-15)21-14-23(19)17-8-5-4-6-9-17/h3-14H,1-2H3/b7-3-,20-13+,22-16-.
What are the key properties of (Z)-1-N-methyl-2-N-(1-phenylbenzimidazol-5-yl)pent-3-ene-1,2-diimine?
(Z)-1-N-methyl-2-N-(1-phenylbenzimidazol-5-yl)pent-3-ene-1,2-diimine has a molecular weight of 302.38 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-methyl-2-N-(1-phenylbenzimidazol-5-yl)pent-3-ene-1,2-diimine is sourced from PubChem (CID 91558483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).