2-[2-[[butyl(ethyl)amino]methyl]-5-methylbenzimidazol-1-yl]acetonitrile

C17H24N4 — CID 82311171

IUPAC2-[2-[[butyl(ethyl)amino]methyl]-5-methylbenzimidazol-1-yl]acetonitrile
SMILESCCCCN(CC)Cc1nc2cc(C)ccc2n1CC#N
InChIInChI=1S/C17H24N4/c1-4-6-10-20(5-2)13-17-19-15-12-14(3)7-8-16(15)21(17)11-9-18/h7-8,12H,4-6,10-11,13H2,1-3H3
InChIKeyCMDULVQIJSINDN-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.49
Rot. Bonds7

About 2-[2-[[butyl(ethyl)amino]methyl]-5-methylbenzimidazol-1-yl]acetonitrile

2-[2-[[butyl(ethyl)amino]methyl]-5-methylbenzimidazol-1-yl]acetonitrile (PubChem CID 82311171) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-[2-[[butyl(ethyl)amino]methyl]-5-methylbenzimidazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-[[butyl(ethyl)amino]methyl]-5-methylbenzimidazol-1-yl]acetonitrile
PubChem CID82311171
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2-[2-[[butyl(ethyl)amino]methyl]-5-methylbenzimidazol-1-yl]acetonitrile
SMILESCCCCN(CC)Cc1nc2cc(C)ccc2n1CC#N
InChIInChI=1S/C17H24N4/c1-4-6-10-20(5-2)13-17-19-15-12-14(3)7-8-16(15)21(17)11-9-18/h7-8,12H,4-6,10-11,13H2,1-3H3
InChIKeyCMDULVQIJSINDN-UHFFFAOYSA-N
XLogP3.49
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(dipropylamino)methyl]-5-methylbenzimidazol-1-yl]acetonitrile
CID 82311169
2-[2-[[butyl(ethyl)amino]methyl]benzimidazol-1-yl]acetonitrile
CID 82311127
2-[5-chloro-2-(diethylaminomethyl)benzimidazol-1-yl]acetonitrile
CID 82311164
2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]acetonitrile
CID 82311189
2-[2-(diethylaminomethyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82311668
3-[2-[[butyl(methyl)amino]methyl]-5-methylbenzimidazol-1-yl]propan-1-ol
CID 82311836
2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-diethylethanamine
CID 43660321
3-[2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-fluorobenzimidazol-1-yl]propanenitrile
CID 82311505
2-(chloromethyl)-5-methyl-1-pentylbenzimidazole
CID 43660022
(1-hexyl-5-methylbenzimidazol-2-yl)methanol
CID 82333270
2-[2-[(dimethylamino)methyl]-5-methoxybenzimidazol-1-yl]acetonitrile
CID 82311201
3-[2-(diethylaminomethyl)-5-methoxybenzimidazol-1-yl]propanenitrile
CID 82311542

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[butyl(ethyl)amino]methyl]-5-methylbenzimidazol-1-yl]acetonitrile?
The IUPAC name of 2-[2-[[butyl(ethyl)amino]methyl]-5-methylbenzimidazol-1-yl]acetonitrile (CID 82311171) is 2-[2-[[butyl(ethyl)amino]methyl]-5-methylbenzimidazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[2-[[butyl(ethyl)amino]methyl]-5-methylbenzimidazol-1-yl]acetonitrile?
The canonical SMILES for 2-[2-[[butyl(ethyl)amino]methyl]-5-methylbenzimidazol-1-yl]acetonitrile is CCCCN(CC)Cc1nc2cc(C)ccc2n1CC#N.
What is the InChIKey of 2-[2-[[butyl(ethyl)amino]methyl]-5-methylbenzimidazol-1-yl]acetonitrile?
The InChIKey is CMDULVQIJSINDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-4-6-10-20(5-2)13-17-19-15-12-14(3)7-8-16(15)21(17)11-9-18/h7-8,12H,4-6,10-11,13H2,1-3H3.
What are the key properties of 2-[2-[[butyl(ethyl)amino]methyl]-5-methylbenzimidazol-1-yl]acetonitrile?
2-[2-[[butyl(ethyl)amino]methyl]-5-methylbenzimidazol-1-yl]acetonitrile has a molecular weight of 284.41 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[butyl(ethyl)amino]methyl]-5-methylbenzimidazol-1-yl]acetonitrile is sourced from PubChem (CID 82311171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).