4-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]quinoline-2-carbonitrile

C20H17N5 — CID 133346083

IUPAC4-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]quinoline-2-carbonitrile
SMILESCN(Cc1nc2ccccc2n1C)c1cc(C#N)nc2ccccc12
InChIInChI=1S/C20H17N5/c1-24(13-20-23-17-9-5-6-10-18(17)25(20)2)19-11-14(12-21)22-16-8-4-3-7-15(16)19/h3-11H,13H2,1-2H3
InChIKeyKGGWBQXMALFAAW-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.63
Rot. Bonds3

About 4-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]quinoline-2-carbonitrile

4-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]quinoline-2-carbonitrile (PubChem CID 133346083) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]quinoline-2-carbonitrile.

Molecular Properties

Compound Name4-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]quinoline-2-carbonitrile
PubChem CID133346083
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC Name4-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]quinoline-2-carbonitrile
SMILESCN(Cc1nc2ccccc2n1C)c1cc(C#N)nc2ccccc12
InChIInChI=1S/C20H17N5/c1-24(13-20-23-17-9-5-6-10-18(17)25(20)2)19-11-14(12-21)22-16-8-4-3-7-15(16)19/h3-11H,13H2,1-2H3
InChIKeyKGGWBQXMALFAAW-UHFFFAOYSA-N
XLogP3.63
TPSA57.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(1-methylbenzimidazol-2-yl)propylamino]quinoline-2-carbonitrile
CID 133346689
4-[(5-bromofuran-2-yl)methyl-methylamino]quinoline-2-carbonitrile
CID 133316212
6-chloro-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazin-2-amine
CID 133346066
(E)-N-methyl-N,N',N'-tris[(1-methylbenzimidazol-2-yl)methyl]ethene-1,2-diamine
CID 22114991
(E)-N-benzyl-N,N',N'-tris[(1-methylbenzimidazol-2-yl)methyl]ethene-1,2-diamine
CID 22114999
2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetic acid
CID 101152444
2-(iodomethyl)-1-methylbenzimidazole
CID 20803299
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
6-[3-(1-methylbenzimidazol-2-yl)propylamino]pyridine-2-carbonitrile
CID 122132143
1-(benzimidazolo[1,2-c]quinazolin-6-yl)-N,N-dimethylmethanamine
CID 15622179
N-methyl-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]aniline
CID 75398519
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133454871

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]quinoline-2-carbonitrile?
The IUPAC name of 4-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]quinoline-2-carbonitrile (CID 133346083) is 4-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]quinoline-2-carbonitrile.
What is the SMILES notation for 4-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]quinoline-2-carbonitrile?
The canonical SMILES for 4-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]quinoline-2-carbonitrile is CN(Cc1nc2ccccc2n1C)c1cc(C#N)nc2ccccc12.
What is the InChIKey of 4-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]quinoline-2-carbonitrile?
The InChIKey is KGGWBQXMALFAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5/c1-24(13-20-23-17-9-5-6-10-18(17)25(20)2)19-11-14(12-21)22-16-8-4-3-7-15(16)19/h3-11H,13H2,1-2H3.
What are the key properties of 4-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]quinoline-2-carbonitrile?
4-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]quinoline-2-carbonitrile has a molecular weight of 327.39 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]quinoline-2-carbonitrile is sourced from PubChem (CID 133346083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).