1-[2-[1-(methylamino)propyl]phenyl]imidazole-2-carbonitrile

C14H16N4 — CID 112678369

IUPAC1-[2-[1-(methylamino)propyl]phenyl]imidazole-2-carbonitrile
SMILESCCC(NC)c1ccccc1-n1ccnc1C#N
InChIInChI=1S/C14H16N4/c1-3-12(16-2)11-6-4-5-7-13(11)18-9-8-17-14(18)10-15/h4-9,12,16H,3H2,1-2H3
InChIKeyMUTRUASZIWTTCE-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.41
Rot. Bonds4

About 1-[2-[1-(methylamino)propyl]phenyl]imidazole-2-carbonitrile

1-[2-[1-(methylamino)propyl]phenyl]imidazole-2-carbonitrile (PubChem CID 112678369) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-[2-[1-(methylamino)propyl]phenyl]imidazole-2-carbonitrile.

Molecular Properties

Compound Name1-[2-[1-(methylamino)propyl]phenyl]imidazole-2-carbonitrile
PubChem CID112678369
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name1-[2-[1-(methylamino)propyl]phenyl]imidazole-2-carbonitrile
SMILESCCC(NC)c1ccccc1-n1ccnc1C#N
InChIInChI=1S/C14H16N4/c1-3-12(16-2)11-6-4-5-7-13(11)18-9-8-17-14(18)10-15/h4-9,12,16H,3H2,1-2H3
InChIKeyMUTRUASZIWTTCE-UHFFFAOYSA-N
XLogP2.41
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-ethylimidazol-1-yl)phenyl]-N-methylethanamine
CID 61405160
N-methyl-1-[2-(1-methylimidazol-2-yl)sulfanylphenyl]propan-1-amine
CID 112678538
1-[2-(2-propylimidazol-1-yl)phenyl]propan-1-ol
CID 112679064
(1S)-1-[2-(2-methylimidazol-1-yl)phenyl]propan-1-amine
CID 103959121
1-[2-(2,3-dihydroindol-1-yl)phenyl]-N-methylpropan-1-amine
CID 115994813
(1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-ol
CID 103960371
(1S)-1-[2-(2-ethylimidazol-1-yl)phenyl]propan-1-amine
CID 113358871
2-[1-(methylamino)propyl]phenol
CID 12862798
4-amino-3-(2-cyanoimidazol-1-yl)-N-methylbenzenesulfonamide
CID 82901603
2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetonitrile
CID 134010477
1-[2-(4,5-dimethylimidazol-1-yl)phenyl]-N-propylpropan-1-amine
CID 115995444
1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine
CID 115995201

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(methylamino)propyl]phenyl]imidazole-2-carbonitrile?
The IUPAC name of 1-[2-[1-(methylamino)propyl]phenyl]imidazole-2-carbonitrile (CID 112678369) is 1-[2-[1-(methylamino)propyl]phenyl]imidazole-2-carbonitrile.
What is the SMILES notation for 1-[2-[1-(methylamino)propyl]phenyl]imidazole-2-carbonitrile?
The canonical SMILES for 1-[2-[1-(methylamino)propyl]phenyl]imidazole-2-carbonitrile is CCC(NC)c1ccccc1-n1ccnc1C#N.
What is the InChIKey of 1-[2-[1-(methylamino)propyl]phenyl]imidazole-2-carbonitrile?
The InChIKey is MUTRUASZIWTTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-3-12(16-2)11-6-4-5-7-13(11)18-9-8-17-14(18)10-15/h4-9,12,16H,3H2,1-2H3.
What are the key properties of 1-[2-[1-(methylamino)propyl]phenyl]imidazole-2-carbonitrile?
1-[2-[1-(methylamino)propyl]phenyl]imidazole-2-carbonitrile has a molecular weight of 240.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(methylamino)propyl]phenyl]imidazole-2-carbonitrile is sourced from PubChem (CID 112678369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).