2-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile

C18H18N4 — CID 82359718

IUPAC2-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile
SMILESCCCNc1nc2ccccc2n1Cc1ccccc1C#N
InChIInChI=1S/C18H18N4/c1-2-11-20-18-21-16-9-5-6-10-17(16)22(18)13-15-8-4-3-7-14(15)12-19/h3-10H,2,11,13H2,1H3,(H,20,21)
InChIKeyAGGGLVWATMLJNV-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.78
Rot. Bonds5

About 2-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile

2-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile (PubChem CID 82359718) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile
PubChem CID82359718
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name2-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile
SMILESCCCNc1nc2ccccc2n1Cc1ccccc1C#N
InChIInChI=1S/C18H18N4/c1-2-11-20-18-21-16-9-5-6-10-17(16)22(18)13-15-8-4-3-7-14(15)12-19/h3-10H,2,11,13H2,1H3,(H,20,21)
InChIKeyAGGGLVWATMLJNV-UHFFFAOYSA-N
XLogP3.78
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile
CID 82359745
2-[[2-[(4-hydroxycyclohexyl)amino]benzimidazol-1-yl]methyl]benzonitrile
CID 71649356
2-[[2-(4-tert-butylphenyl)benzimidazol-1-yl]methyl]benzonitrile
CID 84571433
3-fluoro-4-[[2-(2-hydroxyethylamino)benzimidazol-1-yl]methyl]benzonitrile
CID 51295210
2-[[2-(4-aminofuran-3-yl)benzimidazol-1-yl]methyl]benzonitrile
CID 142668525
ethyl 3-[2-(propylamino)benzimidazol-1-yl]propanoate
CID 82359735
N-(2-chloroethyl)-1-propylbenzimidazol-2-amine
CID 3066877
1-[(4-chlorophenyl)methyl]-N-ethylbenzimidazol-2-amine
CID 82359547
2-[(1-benzylbenzimidazol-2-yl)amino]ethanol
CID 2772581
2-[[1-[(3-chloro-2-fluorophenyl)methyl]benzimidazol-2-yl]amino]ethanol
CID 154746527
2-[(1-pentylbenzimidazol-2-yl)amino]ethanol
CID 4697809
N-ethyl-1-(methoxymethyl)benzimidazol-2-amine
CID 82359568

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile (CID 82359718) is 2-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile is CCCNc1nc2ccccc2n1Cc1ccccc1C#N.
What is the InChIKey of 2-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile?
The InChIKey is AGGGLVWATMLJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-2-11-20-18-21-16-9-5-6-10-17(16)22(18)13-15-8-4-3-7-14(15)12-19/h3-10H,2,11,13H2,1H3,(H,20,21).
What are the key properties of 2-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile?
2-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile has a molecular weight of 290.37 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(propylamino)benzimidazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 82359718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).