3-[(E)-prop-1-enyl]pyrimido[1,6-a]benzimidazole

C13H11N3 — CID 11413142

IUPAC3-[(E)-prop-1-enyl]pyrimido[1,6-a]benzimidazole
SMILESC/C=C/c1cc2nc3ccccc3n2cn1
InChIInChI=1S/C13H11N3/c1-2-5-10-8-13-15-11-6-3-4-7-12(11)16(13)9-14-10/h2-9H,1H3/b5-2+
InChIKeyNOFYVYMNGVEYSN-GORDUTHDSA-N
MW209.25 g/mol
LogP2.92
Rot. Bonds1

About 3-[(E)-prop-1-enyl]pyrimido[1,6-a]benzimidazole

3-[(E)-prop-1-enyl]pyrimido[1,6-a]benzimidazole (PubChem CID 11413142) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-[(E)-prop-1-enyl]pyrimido[1,6-a]benzimidazole.

Molecular Properties

Compound Name3-[(E)-prop-1-enyl]pyrimido[1,6-a]benzimidazole
PubChem CID11413142
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name3-[(E)-prop-1-enyl]pyrimido[1,6-a]benzimidazole
SMILESC/C=C/c1cc2nc3ccccc3n2cn1
InChIInChI=1S/C13H11N3/c1-2-5-10-8-13-15-11-6-3-4-7-12(11)16(13)9-14-10/h2-9H,1H3/b5-2+
InChIKeyNOFYVYMNGVEYSN-GORDUTHDSA-N
XLogP2.92
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethylpyrido[1,2-a]benzimidazol-3-amine
CID 142743723
3-bromopyrido[1,2-a]benzimidazole
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CID 67300877
3-(4-iodophenyl)pyrido[1,2-a]benzimidazole
CID 122222891
3-buta-1,3-dien-2-ylpyrido[1,2-a]benzimidazole
CID 175623593
2-fluoropyrido[1,2-a]benzimidazole
CID 125485836
N,N-dimethyl-2-[(E)-prop-1-enyl]quinolin-4-amine
CID 58336252
2-[(E)-prop-1-enyl]imidazo[1,2-a]pyridine
CID 129127602
methanamine;2-[(Z)-prop-1-enyl]pyridine
CID 143751771
4-(2-methylpropyl)-2-[(E)-prop-1-enyl]quinoline
CID 167153636
2-[(2-methoxy-4-prop-1-enylphenoxy)methyl]-1-methylbenzimidazole
CID 2991156
1-[(E)-pent-3-enyl]benzimidazole
CID 135077117

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-prop-1-enyl]pyrimido[1,6-a]benzimidazole?
The IUPAC name of 3-[(E)-prop-1-enyl]pyrimido[1,6-a]benzimidazole (CID 11413142) is 3-[(E)-prop-1-enyl]pyrimido[1,6-a]benzimidazole.
What is the SMILES notation for 3-[(E)-prop-1-enyl]pyrimido[1,6-a]benzimidazole?
The canonical SMILES for 3-[(E)-prop-1-enyl]pyrimido[1,6-a]benzimidazole is C/C=C/c1cc2nc3ccccc3n2cn1.
What is the InChIKey of 3-[(E)-prop-1-enyl]pyrimido[1,6-a]benzimidazole?
The InChIKey is NOFYVYMNGVEYSN-GORDUTHDSA-N. The full InChI is InChI=1S/C13H11N3/c1-2-5-10-8-13-15-11-6-3-4-7-12(11)16(13)9-14-10/h2-9H,1H3/b5-2+.
What are the key properties of 3-[(E)-prop-1-enyl]pyrimido[1,6-a]benzimidazole?
3-[(E)-prop-1-enyl]pyrimido[1,6-a]benzimidazole has a molecular weight of 209.25 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-prop-1-enyl]pyrimido[1,6-a]benzimidazole is sourced from PubChem (CID 11413142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).