1-[[methyl-[2-(1-methylbenzimidazol-5-yl)ethyl]amino]methyl]cyclopropane-1-carbonitrile

C16H20N4 — CID 115242609

IUPAC1-[[methyl-[2-(1-methylbenzimidazol-5-yl)ethyl]amino]methyl]cyclopropane-1-carbonitrile
SMILESCN(CCc1ccc2c(c1)ncn2C)CC1(C#N)CC1
InChIInChI=1S/C16H20N4/c1-19(11-16(10-17)6-7-16)8-5-13-3-4-15-14(9-13)18-12-20(15)2/h3-4,9,12H,5-8,11H2,1-2H3
InChIKeyUIIXWAHTOFBSNQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.35
Rot. Bonds5

About 1-[[methyl-[2-(1-methylbenzimidazol-5-yl)ethyl]amino]methyl]cyclopropane-1-carbonitrile

1-[[methyl-[2-(1-methylbenzimidazol-5-yl)ethyl]amino]methyl]cyclopropane-1-carbonitrile (PubChem CID 115242609) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[[methyl-[2-(1-methylbenzimidazol-5-yl)ethyl]amino]methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[methyl-[2-(1-methylbenzimidazol-5-yl)ethyl]amino]methyl]cyclopropane-1-carbonitrile
PubChem CID115242609
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name1-[[methyl-[2-(1-methylbenzimidazol-5-yl)ethyl]amino]methyl]cyclopropane-1-carbonitrile
SMILESCN(CCc1ccc2c(c1)ncn2C)CC1(C#N)CC1
InChIInChI=1S/C16H20N4/c1-19(11-16(10-17)6-7-16)8-5-13-3-4-15-14(9-13)18-12-20(15)2/h3-4,9,12H,5-8,11H2,1-2H3
InChIKeyUIIXWAHTOFBSNQ-UHFFFAOYSA-N
XLogP2.35
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(bromomethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine
CID 115262441
N-(methoxymethyl)-N-methyl-2-(1-methylbenzimidazol-5-yl)ethanamine
CID 115259070
1-[[2-(1,3-benzodioxol-5-yl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242583
N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]acetamide
CID 115191346
1-[[(1,2-dimethylbenzimidazol-5-yl)methyl-methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242408
N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine
CID 115259483
5-(2-chloroethyl)-1-methylbenzimidazole
CID 82255547
2-(1-methylbenzimidazol-5-yl)ethanamine
CID 82255151
3-amino-1-methyl-1-[2-(1-methylbenzimidazol-5-yl)ethyl]urea
CID 115193077
2-chloro-N-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]ethanamine
CID 115214975
1-[[methyl-[2-(1-methylindol-3-yl)ethyl]amino]methyl]cyclopropane-1-carbonitrile
CID 115242596
3-hydroxy-N-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 115139454

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl-[2-(1-methylbenzimidazol-5-yl)ethyl]amino]methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[methyl-[2-(1-methylbenzimidazol-5-yl)ethyl]amino]methyl]cyclopropane-1-carbonitrile (CID 115242609) is 1-[[methyl-[2-(1-methylbenzimidazol-5-yl)ethyl]amino]methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[methyl-[2-(1-methylbenzimidazol-5-yl)ethyl]amino]methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[methyl-[2-(1-methylbenzimidazol-5-yl)ethyl]amino]methyl]cyclopropane-1-carbonitrile is CN(CCc1ccc2c(c1)ncn2C)CC1(C#N)CC1.
What is the InChIKey of 1-[[methyl-[2-(1-methylbenzimidazol-5-yl)ethyl]amino]methyl]cyclopropane-1-carbonitrile?
The InChIKey is UIIXWAHTOFBSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-19(11-16(10-17)6-7-16)8-5-13-3-4-15-14(9-13)18-12-20(15)2/h3-4,9,12H,5-8,11H2,1-2H3.
What are the key properties of 1-[[methyl-[2-(1-methylbenzimidazol-5-yl)ethyl]amino]methyl]cyclopropane-1-carbonitrile?
1-[[methyl-[2-(1-methylbenzimidazol-5-yl)ethyl]amino]methyl]cyclopropane-1-carbonitrile has a molecular weight of 268.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl-[2-(1-methylbenzimidazol-5-yl)ethyl]amino]methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 115242609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).