(4E,5E)-1-methyl-4-prop-2-enylidene-5-propylideneimidazole

C10H14N2 — CID 144897785

IUPAC(4E,5E)-1-methyl-4-prop-2-enylidene-5-propylideneimidazole
SMILESC=C/C=c1/ncn(C)/c1=C/CC
InChIInChI=1S/C10H14N2/c1-4-6-9-10(7-5-2)12(3)8-11-9/h4,6-8H,1,5H2,2-3H3/b9-6+,10-7+
InChIKeyNVQKJILDJXTEHR-KZZDLZNXSA-N
MW162.24 g/mol
LogP0.58
Rot. Bonds2

About (4E,5E)-1-methyl-4-prop-2-enylidene-5-propylideneimidazole

(4E,5E)-1-methyl-4-prop-2-enylidene-5-propylideneimidazole (PubChem CID 144897785) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (4E,5E)-1-methyl-4-prop-2-enylidene-5-propylideneimidazole.

Molecular Properties

Compound Name(4E,5E)-1-methyl-4-prop-2-enylidene-5-propylideneimidazole
PubChem CID144897785
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(4E,5E)-1-methyl-4-prop-2-enylidene-5-propylideneimidazole
SMILESC=C/C=c1/ncn(C)/c1=C/CC
InChIInChI=1S/C10H14N2/c1-4-6-9-10(7-5-2)12(3)8-11-9/h4,6-8H,1,5H2,2-3H3/b9-6+,10-7+
InChIKeyNVQKJILDJXTEHR-KZZDLZNXSA-N
XLogP0.58
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5E)-5-[(E)-2-fluoropent-2-enylidene]-1-propan-2-yl-4H-imidazole
CID 138535079
2-chloro-1-methyl-3aH-cyclohepta[d]imidazole
CID 53653883
3,7-dimethyl-5H-benzimidazol-5-ide;yttrium
CID 59708940
2-Cyclopenta-1,4-dien-1-yl-1,1,3,3-tetramethylguanidine
CID 89212599
1,8a-Dihydroimidazo[1,5-a]pyridine;ethane
CID 90971508
N-[3-(5-ethylidene-3-methylimidazol-4-ylidene)prop-1-en-2-yl]-N-methylbut-2-en-2-amine
CID 123218601
N-hepta-3,5-dien-3-yl-N,N'-dimethylmethanimidamide
CID 123417471
4-Ethenylidene-1-methyl-5-(3-methylbut-2-enylidene)imidazole
CID 123437116
5-Ethylidene-1-methyl-4-methylideneimidazole
CID 123678686
5-Ethylidene-1-methyl-4-pent-1-en-3-ylideneimidazole
CID 123704736
1-Ethyl-4-methylidene-5-prop-2-enylideneimidazole
CID 123739949
4-But-3-en-2-ylidene-5-ethylidene-1-methylimidazole
CID 123878865

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-1-methyl-4-prop-2-enylidene-5-propylideneimidazole?
The IUPAC name of (4E,5E)-1-methyl-4-prop-2-enylidene-5-propylideneimidazole (CID 144897785) is (4E,5E)-1-methyl-4-prop-2-enylidene-5-propylideneimidazole.
What is the SMILES notation for (4E,5E)-1-methyl-4-prop-2-enylidene-5-propylideneimidazole?
The canonical SMILES for (4E,5E)-1-methyl-4-prop-2-enylidene-5-propylideneimidazole is C=C/C=c1/ncn(C)/c1=C/CC.
What is the InChIKey of (4E,5E)-1-methyl-4-prop-2-enylidene-5-propylideneimidazole?
The InChIKey is NVQKJILDJXTEHR-KZZDLZNXSA-N. The full InChI is InChI=1S/C10H14N2/c1-4-6-9-10(7-5-2)12(3)8-11-9/h4,6-8H,1,5H2,2-3H3/b9-6+,10-7+.
What are the key properties of (4E,5E)-1-methyl-4-prop-2-enylidene-5-propylideneimidazole?
(4E,5E)-1-methyl-4-prop-2-enylidene-5-propylideneimidazole has a molecular weight of 162.24 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-1-methyl-4-prop-2-enylidene-5-propylideneimidazole is sourced from PubChem (CID 144897785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).