2-amino-3-hexan-3-ylbenzimidazole-5-carbonitrile

C14H18N4 — CID 104714989

IUPAC2-amino-3-hexan-3-ylbenzimidazole-5-carbonitrile
SMILESCCCC(CC)n1c(N)nc2ccc(C#N)cc21
InChIInChI=1S/C14H18N4/c1-3-5-11(4-2)18-13-8-10(9-15)6-7-12(13)17-14(18)16/h6-8,11H,3-5H2,1-2H3,(H2,16,17)
InChIKeyHAMBGHZYFOUGRX-UHFFFAOYSA-N
MW242.33 g/mol
LogP3.24
Rot. Bonds4

About 2-amino-3-hexan-3-ylbenzimidazole-5-carbonitrile

2-amino-3-hexan-3-ylbenzimidazole-5-carbonitrile (PubChem CID 104714989) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-amino-3-hexan-3-ylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-amino-3-hexan-3-ylbenzimidazole-5-carbonitrile
PubChem CID104714989
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2-amino-3-hexan-3-ylbenzimidazole-5-carbonitrile
SMILESCCCC(CC)n1c(N)nc2ccc(C#N)cc21
InChIInChI=1S/C14H18N4/c1-3-5-11(4-2)18-13-8-10(9-15)6-7-12(13)17-14(18)16/h6-8,11H,3-5H2,1-2H3,(H2,16,17)
InChIKeyHAMBGHZYFOUGRX-UHFFFAOYSA-N
XLogP3.24
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-hexan-2-ylbenzimidazole-5-carbonitrile
CID 104714994
2-amino-3-(2-methylpentan-3-yl)benzimidazole-5-carbonitrile
CID 113444535
2-amino-3-[1-(4-fluorophenyl)ethyl]benzimidazole-5-carbonitrile
CID 104714906
2-(1-chloroethyl)-3-(1-methoxypentan-2-yl)benzimidazole-5-carbonitrile
CID 104715809
2-amino-3-(3-methylbutyl)benzimidazole-5-carbonitrile
CID 104714701
2-amino-3-[1-(4-bromophenyl)ethyl]benzimidazole-5-carbonitrile
CID 104714913
1-hexan-3-ylimidazo[4,5-c]pyridin-2-amine
CID 79295628
2-amino-3-(1-morpholin-4-ylpropan-2-yl)benzimidazole-5-carbonitrile
CID 104714905
2-amino-3-(5-methylhexyl)benzimidazole-5-carbonitrile
CID 104715156
2-amino-3-(2-ethoxypropyl)benzimidazole-5-carbonitrile
CID 113477805
2-(chloromethyl)-3-heptan-2-ylbenzimidazole-5-carbonitrile
CID 104715530
2-amino-3-(4-ethoxyphenyl)benzimidazole-5-carbonitrile
CID 104714758

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hexan-3-ylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-amino-3-hexan-3-ylbenzimidazole-5-carbonitrile (CID 104714989) is 2-amino-3-hexan-3-ylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-amino-3-hexan-3-ylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-amino-3-hexan-3-ylbenzimidazole-5-carbonitrile is CCCC(CC)n1c(N)nc2ccc(C#N)cc21.
What is the InChIKey of 2-amino-3-hexan-3-ylbenzimidazole-5-carbonitrile?
The InChIKey is HAMBGHZYFOUGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-3-5-11(4-2)18-13-8-10(9-15)6-7-12(13)17-14(18)16/h6-8,11H,3-5H2,1-2H3,(H2,16,17).
What are the key properties of 2-amino-3-hexan-3-ylbenzimidazole-5-carbonitrile?
2-amino-3-hexan-3-ylbenzimidazole-5-carbonitrile has a molecular weight of 242.33 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hexan-3-ylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 104714989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).