2-methyl-2-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]propanenitrile

C17H22N4 — CID 62955778

IUPAC2-methyl-2-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]propanenitrile
SMILESCCCn1ccnc1CNc1ccc(C(C)(C)C#N)cc1
InChIInChI=1S/C17H22N4/c1-4-10-21-11-9-19-16(21)12-20-15-7-5-14(6-8-15)17(2,3)13-18/h5-9,11,20H,4,10,12H2,1-3H3
InChIKeyJZWIFZAKQNBSBH-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.71
Rot. Bonds6

About 2-methyl-2-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]propanenitrile

2-methyl-2-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]propanenitrile (PubChem CID 62955778) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-methyl-2-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]propanenitrile
PubChem CID62955778
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-methyl-2-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]propanenitrile
SMILESCCCn1ccnc1CNc1ccc(C(C)(C)C#N)cc1
InChIInChI=1S/C17H22N4/c1-4-10-21-11-9-19-16(21)12-20-15-7-5-14(6-8-15)17(2,3)13-18/h5-9,11,20H,4,10,12H2,1-3H3
InChIKeyJZWIFZAKQNBSBH-UHFFFAOYSA-N
XLogP3.71
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-propylimidazol-2-yl)methylamino]benzene-1,2-dicarbonitrile
CID 107788244
N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]acetamide
CID 62956453
2-fluoro-5-[(1-propylimidazol-2-yl)methylamino]benzonitrile
CID 62955984
N-[(1-propylimidazol-2-yl)methyl]-4-pyrazol-1-ylaniline
CID 62957014
4-[(1-propylimidazol-2-yl)methylamino]benzenesulfonamide
CID 62957865
methyl N-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]carbamate
CID 62956308
3-fluoro-4-methyl-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62957177
4-fluoro-N-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)aniline
CID 62955979
3-methyl-N-[(1-propylimidazol-2-yl)methyl]pentan-3-amine
CID 106328036
6-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]pyridin-3-amine
CID 62957017
2,6-dibromo-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 107597049
3-chloro-4-propoxy-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62955275

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]propanenitrile?
The IUPAC name of 2-methyl-2-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]propanenitrile (CID 62955778) is 2-methyl-2-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]propanenitrile?
The canonical SMILES for 2-methyl-2-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]propanenitrile is CCCn1ccnc1CNc1ccc(C(C)(C)C#N)cc1.
What is the InChIKey of 2-methyl-2-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]propanenitrile?
The InChIKey is JZWIFZAKQNBSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-4-10-21-11-9-19-16(21)12-20-15-7-5-14(6-8-15)17(2,3)13-18/h5-9,11,20H,4,10,12H2,1-3H3.
What are the key properties of 2-methyl-2-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]propanenitrile?
2-methyl-2-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]propanenitrile has a molecular weight of 282.39 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]propanenitrile is sourced from PubChem (CID 62955778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).