4-[3-(1-methylbenzimidazol-2-yl)propylamino]quinoline-2-carbonitrile

C21H19N5 — CID 133346689

IUPAC4-[3-(1-methylbenzimidazol-2-yl)propylamino]quinoline-2-carbonitrile
SMILESCn1c(CCCNc2cc(C#N)nc3ccccc23)nc2ccccc21
InChIInChI=1S/C21H19N5/c1-26-20-10-5-4-9-18(20)25-21(26)11-6-12-23-19-13-15(14-22)24-17-8-3-2-7-16(17)19/h2-5,7-10,13H,6,11-12H2,1H3,(H,23,24)
InChIKeyFSLOWBOSDXJYJP-UHFFFAOYSA-N
MW341.42 g/mol
LogP4.04
Rot. Bonds5

About 4-[3-(1-methylbenzimidazol-2-yl)propylamino]quinoline-2-carbonitrile

4-[3-(1-methylbenzimidazol-2-yl)propylamino]quinoline-2-carbonitrile (PubChem CID 133346689) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is 4-[3-(1-methylbenzimidazol-2-yl)propylamino]quinoline-2-carbonitrile.

Molecular Properties

Compound Name4-[3-(1-methylbenzimidazol-2-yl)propylamino]quinoline-2-carbonitrile
PubChem CID133346689
Molecular FormulaC21H19N5
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC Name4-[3-(1-methylbenzimidazol-2-yl)propylamino]quinoline-2-carbonitrile
SMILESCn1c(CCCNc2cc(C#N)nc3ccccc23)nc2ccccc21
InChIInChI=1S/C21H19N5/c1-26-20-10-5-4-9-18(20)25-21(26)11-6-12-23-19-13-15(14-22)24-17-8-3-2-7-16(17)19/h2-5,7-10,13H,6,11-12H2,1H3,(H,23,24)
InChIKeyFSLOWBOSDXJYJP-UHFFFAOYSA-N
XLogP4.04
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[3-(1-methylbenzimidazol-2-yl)propylamino]pyridine-2-carbonitrile
CID 122132143
4-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]quinoline-2-carbonitrile
CID 133346083
3-chloro-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyridin-4-amine
CID 133346675
4,6-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
CID 133346658
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
CID 71983544
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
6-ethyl-2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-4-amine
CID 133461518
4-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-(trifluoromethyl)benzenesulfonamide
CID 133346742
N'-[3-(1-methylbenzimidazol-2-yl)propyl]butane-1,4-diamine
CID 83962059
4-[3-(1-methylbenzimidazol-2-yl)propylamino]butan-1-ol
CID 83962016
N-[1-[(2-cyanoquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 133321544
3-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 4585215

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methylbenzimidazol-2-yl)propylamino]quinoline-2-carbonitrile?
The IUPAC name of 4-[3-(1-methylbenzimidazol-2-yl)propylamino]quinoline-2-carbonitrile (CID 133346689) is 4-[3-(1-methylbenzimidazol-2-yl)propylamino]quinoline-2-carbonitrile.
What is the SMILES notation for 4-[3-(1-methylbenzimidazol-2-yl)propylamino]quinoline-2-carbonitrile?
The canonical SMILES for 4-[3-(1-methylbenzimidazol-2-yl)propylamino]quinoline-2-carbonitrile is Cn1c(CCCNc2cc(C#N)nc3ccccc23)nc2ccccc21.
What is the InChIKey of 4-[3-(1-methylbenzimidazol-2-yl)propylamino]quinoline-2-carbonitrile?
The InChIKey is FSLOWBOSDXJYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5/c1-26-20-10-5-4-9-18(20)25-21(26)11-6-12-23-19-13-15(14-22)24-17-8-3-2-7-16(17)19/h2-5,7-10,13H,6,11-12H2,1H3,(H,23,24).
What are the key properties of 4-[3-(1-methylbenzimidazol-2-yl)propylamino]quinoline-2-carbonitrile?
4-[3-(1-methylbenzimidazol-2-yl)propylamino]quinoline-2-carbonitrile has a molecular weight of 341.42 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methylbenzimidazol-2-yl)propylamino]quinoline-2-carbonitrile is sourced from PubChem (CID 133346689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).