4-[2-(3H-benzimidazol-5-yl)ethylamino]cyclohexane-1-carbonitrile

C16H20N4 — CID 115150262

IUPAC4-[2-(3H-benzimidazol-5-yl)ethylamino]cyclohexane-1-carbonitrile
SMILESN#CC1CCC(NCCc2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C16H20N4/c17-10-13-1-4-14(5-2-13)18-8-7-12-3-6-15-16(9-12)20-11-19-15/h3,6,9,11,13-14,18H,1-2,4-5,7-8H2,(H,19,20)
InChIKeyMARGQVJWIZMCJF-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.78
Rot. Bonds4

About 4-[2-(3H-benzimidazol-5-yl)ethylamino]cyclohexane-1-carbonitrile

4-[2-(3H-benzimidazol-5-yl)ethylamino]cyclohexane-1-carbonitrile (PubChem CID 115150262) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[2-(3H-benzimidazol-5-yl)ethylamino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-[2-(3H-benzimidazol-5-yl)ethylamino]cyclohexane-1-carbonitrile
PubChem CID115150262
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name4-[2-(3H-benzimidazol-5-yl)ethylamino]cyclohexane-1-carbonitrile
SMILESN#CC1CCC(NCCc2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C16H20N4/c17-10-13-1-4-14(5-2-13)18-8-7-12-3-6-15-16(9-12)20-11-19-15/h3,6,9,11,13-14,18H,1-2,4-5,7-8H2,(H,19,20)
InChIKeyMARGQVJWIZMCJF-UHFFFAOYSA-N
XLogP2.78
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-fluoroethyl)-1H-benzimidazole
CID 139795437
2-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-methylpropane-1,2-diamine
CID 115132184
2-(3H-benzimidazol-5-yl)-N-(piperazin-1-ylmethyl)ethanamine
CID 115230151
N-(3H-benzimidazol-5-ylmethyl)pyrrolidin-3-amine
CID 115118875
10-(3H-benzimidazol-5-yl)decan-1-amine
CID 150986948
2-(3H-benzimidazol-5-ylmethylamino)acetonitrile
CID 115131027
1-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-methylpropane-1,2-diamine
CID 115136178
N'-[2-(3H-benzimidazol-5-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252579
4-[2-(3H-benzimidazol-5-yl)ethylamino]-4-oxobutanoic acid
CID 115163730
6-(3-methylbutyl)-1H-benzimidazole
CID 58439474
6-pentyl-1H-benzimidazole
CID 58767911
3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride
CID 132889297

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3H-benzimidazol-5-yl)ethylamino]cyclohexane-1-carbonitrile?
The IUPAC name of 4-[2-(3H-benzimidazol-5-yl)ethylamino]cyclohexane-1-carbonitrile (CID 115150262) is 4-[2-(3H-benzimidazol-5-yl)ethylamino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-[2-(3H-benzimidazol-5-yl)ethylamino]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-[2-(3H-benzimidazol-5-yl)ethylamino]cyclohexane-1-carbonitrile is N#CC1CCC(NCCc2ccc3nc[nH]c3c2)CC1.
What is the InChIKey of 4-[2-(3H-benzimidazol-5-yl)ethylamino]cyclohexane-1-carbonitrile?
The InChIKey is MARGQVJWIZMCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c17-10-13-1-4-14(5-2-13)18-8-7-12-3-6-15-16(9-12)20-11-19-15/h3,6,9,11,13-14,18H,1-2,4-5,7-8H2,(H,19,20).
What are the key properties of 4-[2-(3H-benzimidazol-5-yl)ethylamino]cyclohexane-1-carbonitrile?
4-[2-(3H-benzimidazol-5-yl)ethylamino]cyclohexane-1-carbonitrile has a molecular weight of 268.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3H-benzimidazol-5-yl)ethylamino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 115150262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).