4-[[5-(2-aminoethyl)-2-methylimidazol-1-yl]methyl]benzonitrile

C14H16N4 — CID 157179855

IUPAC4-[[5-(2-aminoethyl)-2-methylimidazol-1-yl]methyl]benzonitrile
SMILESCc1ncc(CCN)n1Cc1ccc(C#N)cc1
InChIInChI=1S/C14H16N4/c1-11-17-9-14(6-7-15)18(11)10-13-4-2-12(8-16)3-5-13/h2-5,9H,6-7,10,15H2,1H3
InChIKeyGZQDXMOSLLFPNB-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.61
Rot. Bonds4

About 4-[[5-(2-aminoethyl)-2-methylimidazol-1-yl]methyl]benzonitrile

4-[[5-(2-aminoethyl)-2-methylimidazol-1-yl]methyl]benzonitrile (PubChem CID 157179855) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-[[5-(2-aminoethyl)-2-methylimidazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[5-(2-aminoethyl)-2-methylimidazol-1-yl]methyl]benzonitrile
PubChem CID157179855
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name4-[[5-(2-aminoethyl)-2-methylimidazol-1-yl]methyl]benzonitrile
SMILESCc1ncc(CCN)n1Cc1ccc(C#N)cc1
InChIInChI=1S/C14H16N4/c1-11-17-9-14(6-7-15)18(11)10-13-4-2-12(8-16)3-5-13/h2-5,9H,6-7,10,15H2,1H3
InChIKeyGZQDXMOSLLFPNB-UHFFFAOYSA-N
XLogP1.61
TPSA67.63 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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile
CID 82150674
4-[[2-amino-3-[(4-phenylphenyl)methyl]imidazol-4-yl]methyl]benzonitrile
CID 18779097
[2-(trifluoromethoxy)phenyl] 4-[[3-[(4-cyanophenyl)methyl]-2-methylimidazol-4-yl]methyl]piperazine-1-carboxylate
CID 102463599
4-[[3-(2-aminoethyl)-5-methoxy-2-methylindol-1-yl]methyl]benzonitrile;hydrochloride
CID 127039961
3-[(3-cyanophenyl)methyl]-2-methylimidazole-4-carboxylic acid
CID 65173055
4-[(2-amino-5,6-dimethylbenzimidazol-1-yl)methyl]benzonitrile
CID 82359067
4-[(2-butyl-6-oxo-1-pyridinyl)methyl]benzonitrile
CID 54543964
1-[3-[(3,4-dimethylphenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 65173081
ethyl 1-[[3-[(4-cyanophenyl)methyl]-2-methylimidazol-4-yl]methyl]-4-[[3-(methanesulfonamidomethyl)phenyl]methyl]piperidine-4-carboxylate
CID 21193334
4-[(2-tert-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]benzonitrile
CID 82150679
4-[(2-amino-7-methylbenzimidazol-1-yl)methyl]benzonitrile
CID 115552449
4-[5-(2-aminoethyl)imidazol-1-yl]-3-chlorobenzonitrile
CID 114003670

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-aminoethyl)-2-methylimidazol-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[5-(2-aminoethyl)-2-methylimidazol-1-yl]methyl]benzonitrile (CID 157179855) is 4-[[5-(2-aminoethyl)-2-methylimidazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[5-(2-aminoethyl)-2-methylimidazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[5-(2-aminoethyl)-2-methylimidazol-1-yl]methyl]benzonitrile is Cc1ncc(CCN)n1Cc1ccc(C#N)cc1.
What is the InChIKey of 4-[[5-(2-aminoethyl)-2-methylimidazol-1-yl]methyl]benzonitrile?
The InChIKey is GZQDXMOSLLFPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-11-17-9-14(6-7-15)18(11)10-13-4-2-12(8-16)3-5-13/h2-5,9H,6-7,10,15H2,1H3.
What are the key properties of 4-[[5-(2-aminoethyl)-2-methylimidazol-1-yl]methyl]benzonitrile?
4-[[5-(2-aminoethyl)-2-methylimidazol-1-yl]methyl]benzonitrile has a molecular weight of 240.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2-aminoethyl)-2-methylimidazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 157179855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).