N-(2-methylprop-2-enylideneamino)-1H-benzimidazol-2-amine

C11H12N4 — CID 131854072

IUPACN-(2-methylprop-2-enylideneamino)-1H-benzimidazol-2-amine
SMILESC=C(C)C=NNc1nc2ccccc2[nH]1
InChIInChI=1S/C11H12N4/c1-8(2)7-12-15-11-13-9-5-3-4-6-10(9)14-11/h3-7H,1H2,2H3,(H2,13,14,15)
InChIKeyIYKOZEZPSPONQP-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.54
Rot. Bonds3

About N-(2-methylprop-2-enylideneamino)-1H-benzimidazol-2-amine

N-(2-methylprop-2-enylideneamino)-1H-benzimidazol-2-amine (PubChem CID 131854072) has the molecular formula C11H12N4 and a molecular weight of 200.24 g/mol. Its IUPAC name is N-(2-methylprop-2-enylideneamino)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(2-methylprop-2-enylideneamino)-1H-benzimidazol-2-amine
PubChem CID131854072
Molecular FormulaC11H12N4
Molecular Weight200.24 g/mol
Exact Mass200.11
IUPAC NameN-(2-methylprop-2-enylideneamino)-1H-benzimidazol-2-amine
SMILESC=C(C)C=NNc1nc2ccccc2[nH]1
InChIInChI=1S/C11H12N4/c1-8(2)7-12-15-11-13-9-5-3-4-6-10(9)14-11/h3-7H,1H2,2H3,(H2,13,14,15)
InChIKeyIYKOZEZPSPONQP-UHFFFAOYSA-N
XLogP2.54
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(4-methylphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 14088787
N-[(Z)-3,3-dimethylbutan-2-ylideneamino]-1H-benzimidazol-2-amine
CID 5396624
N-(2-benzylideneheptylideneamino)-1H-benzimidazol-2-amine
CID 4622301
4-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]benzene-1,3-diol
CID 3134920
N-[2-(2-methylprop-2-enoxy)ethyl]-1H-benzimidazol-2-amine
CID 113341943
N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-1H-benzimidazol-2-amine
CID 135558240
N-(pyridin-3-ylmethylideneamino)-1H-benzimidazol-2-amine
CID 2852455
N-[1-(2,6-difluorophenyl)ethylideneamino]-1H-benzimidazol-2-amine
CID 3966393
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine;2-ethoxyprop-1-ene
CID 143204728
N'-(1H-benzimidazol-2-yl)acetohydrazide
CID 14088792
1-N-(1H-benzimidazol-2-yl)-2-N-methylprop-2-ene-1,2-diamine
CID 143724992
N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1H-benzimidazol-2-amine
CID 4166648

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enylideneamino)-1H-benzimidazol-2-amine?
The IUPAC name of N-(2-methylprop-2-enylideneamino)-1H-benzimidazol-2-amine (CID 131854072) is N-(2-methylprop-2-enylideneamino)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(2-methylprop-2-enylideneamino)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(2-methylprop-2-enylideneamino)-1H-benzimidazol-2-amine is C=C(C)C=NNc1nc2ccccc2[nH]1.
What is the InChIKey of N-(2-methylprop-2-enylideneamino)-1H-benzimidazol-2-amine?
The InChIKey is IYKOZEZPSPONQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-8(2)7-12-15-11-13-9-5-3-4-6-10(9)14-11/h3-7H,1H2,2H3,(H2,13,14,15).
What are the key properties of N-(2-methylprop-2-enylideneamino)-1H-benzimidazol-2-amine?
N-(2-methylprop-2-enylideneamino)-1H-benzimidazol-2-amine has a molecular weight of 200.24 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enylideneamino)-1H-benzimidazol-2-amine is sourced from PubChem (CID 131854072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).