4-[1-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]benzonitrile

C12H14N4 — CID 115601431

IUPAC4-[1-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]benzonitrile
SMILESCC(NC1=NCCN1)c1ccc(C#N)cc1
InChIInChI=1S/C12H14N4/c1-9(16-12-14-6-7-15-12)11-4-2-10(8-13)3-5-11/h2-5,9H,6-7H2,1H3,(H2,14,15,16)
InChIKeyUVBFVEPJAHBCKQ-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.17
Rot. Bonds2

About 4-[1-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]benzonitrile

4-[1-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]benzonitrile (PubChem CID 115601431) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-[1-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]benzonitrile
PubChem CID115601431
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name4-[1-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]benzonitrile
SMILESCC(NC1=NCCN1)c1ccc(C#N)cc1
InChIInChI=1S/C12H14N4/c1-9(16-12-14-6-7-15-12)11-4-2-10(8-13)3-5-11/h2-5,9H,6-7H2,1H3,(H2,14,15,16)
InChIKeyUVBFVEPJAHBCKQ-UHFFFAOYSA-N
XLogP1.17
TPSA60.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-thiophen-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 114400203
4-[1-(4-cyanoanilino)ethyl]benzonitrile
CID 43195294
4-[1-(1H-pyrazol-4-ylamino)ethyl]benzonitrile
CID 43540037
6-[[(1S)-1-(4-cyanophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 93318179
4-[1-(propan-2-ylamino)ethyl]benzonitrile
CID 43190054
4-[1-(4-aminophenyl)ethylamino]benzonitrile
CID 60869452
4-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile
CID 43690575
4-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]benzonitrile
CID 65482779
4-[1-[(6-methyl-2-pyridinyl)amino]ethyl]benzonitrile
CID 54936470
4-[1-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethyl]benzonitrile
CID 62858975
4-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methoxybenzonitrile
CID 114400407
4-[1-(2-bromoanilino)ethyl]benzonitrile
CID 43194470

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]benzonitrile?
The IUPAC name of 4-[1-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]benzonitrile (CID 115601431) is 4-[1-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]benzonitrile.
What is the SMILES notation for 4-[1-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]benzonitrile?
The canonical SMILES for 4-[1-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]benzonitrile is CC(NC1=NCCN1)c1ccc(C#N)cc1.
What is the InChIKey of 4-[1-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]benzonitrile?
The InChIKey is UVBFVEPJAHBCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-9(16-12-14-6-7-15-12)11-4-2-10(8-13)3-5-11/h2-5,9H,6-7H2,1H3,(H2,14,15,16).
What are the key properties of 4-[1-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]benzonitrile?
4-[1-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]benzonitrile has a molecular weight of 214.27 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4,5-dihydro-1H-imidazol-2-ylamino)ethyl]benzonitrile is sourced from PubChem (CID 115601431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).