2-[(3-cyclopropylimidazol-4-yl)methylamino]-6-methylbenzonitrile

C15H16N4 — CID 107803669

IUPAC2-[(3-cyclopropylimidazol-4-yl)methylamino]-6-methylbenzonitrile
SMILESCc1cccc(NCc2cncn2C2CC2)c1C#N
InChIInChI=1S/C15H16N4/c1-11-3-2-4-15(14(11)7-16)18-9-13-8-17-10-19(13)12-5-6-12/h2-4,8,10,12,18H,5-6,9H2,1H3
InChIKeyAZOWMSRTXFNXMV-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.01
Rot. Bonds4

About 2-[(3-cyclopropylimidazol-4-yl)methylamino]-6-methylbenzonitrile

2-[(3-cyclopropylimidazol-4-yl)methylamino]-6-methylbenzonitrile (PubChem CID 107803669) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[(3-cyclopropylimidazol-4-yl)methylamino]-6-methylbenzonitrile.

Molecular Properties

Compound Name2-[(3-cyclopropylimidazol-4-yl)methylamino]-6-methylbenzonitrile
PubChem CID107803669
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-[(3-cyclopropylimidazol-4-yl)methylamino]-6-methylbenzonitrile
SMILESCc1cccc(NCc2cncn2C2CC2)c1C#N
InChIInChI=1S/C15H16N4/c1-11-3-2-4-15(14(11)7-16)18-9-13-8-17-10-19(13)12-5-6-12/h2-4,8,10,12,18H,5-6,9H2,1H3
InChIKeyAZOWMSRTXFNXMV-UHFFFAOYSA-N
XLogP3.01
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-cyclopropylimidazol-4-yl)methyl]-2-methylpyridin-3-amine
CID 79041997
4-bromo-N-[(3-cyclopropylimidazol-4-yl)methyl]-2-methylaniline
CID 66162669
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-methylsulfonylaniline
CID 66162319
N-[(3-cyclopropylimidazol-4-yl)methyl]-2-ethylsulfanylaniline
CID 66164331
2-methyl-6-(pyrimidin-5-ylmethylamino)benzonitrile
CID 114002990
2-bromo-N-[(3-cyclopropylimidazol-4-yl)methyl]-5-methylaniline
CID 82761082
2-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-6-methylbenzonitrile
CID 107804385
ethyl 2-[(3-cyclopropylimidazol-4-yl)methylamino]benzoate
CID 66164081
2-chloro-4-[(3-cyclopropylimidazol-4-yl)methylamino]benzonitrile
CID 66164671
4-bromo-2,3-dichloro-N-[(3-cyclopropylimidazol-4-yl)methyl]aniline
CID 107788117
N-[(3-cyclopropylimidazol-4-yl)methyl]-2,5-dimethoxyaniline
CID 66164456
N-[(3-cyclopropylimidazol-4-yl)methyl]pyrimidin-5-amine
CID 107588333

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropylimidazol-4-yl)methylamino]-6-methylbenzonitrile?
The IUPAC name of 2-[(3-cyclopropylimidazol-4-yl)methylamino]-6-methylbenzonitrile (CID 107803669) is 2-[(3-cyclopropylimidazol-4-yl)methylamino]-6-methylbenzonitrile.
What is the SMILES notation for 2-[(3-cyclopropylimidazol-4-yl)methylamino]-6-methylbenzonitrile?
The canonical SMILES for 2-[(3-cyclopropylimidazol-4-yl)methylamino]-6-methylbenzonitrile is Cc1cccc(NCc2cncn2C2CC2)c1C#N.
What is the InChIKey of 2-[(3-cyclopropylimidazol-4-yl)methylamino]-6-methylbenzonitrile?
The InChIKey is AZOWMSRTXFNXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-11-3-2-4-15(14(11)7-16)18-9-13-8-17-10-19(13)12-5-6-12/h2-4,8,10,12,18H,5-6,9H2,1H3.
What are the key properties of 2-[(3-cyclopropylimidazol-4-yl)methylamino]-6-methylbenzonitrile?
2-[(3-cyclopropylimidazol-4-yl)methylamino]-6-methylbenzonitrile has a molecular weight of 252.32 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropylimidazol-4-yl)methylamino]-6-methylbenzonitrile is sourced from PubChem (CID 107803669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).