2-amino-3-(2-methylpentan-3-yl)benzimidazole-5-carbonitrile

C14H18N4 — CID 113444535

IUPAC2-amino-3-(2-methylpentan-3-yl)benzimidazole-5-carbonitrile
SMILESCCC(C(C)C)n1c(N)nc2ccc(C#N)cc21
InChIInChI=1S/C14H18N4/c1-4-12(9(2)3)18-13-7-10(8-15)5-6-11(13)17-14(18)16/h5-7,9,12H,4H2,1-3H3,(H2,16,17)
InChIKeyUEGRMUNKZRSYRX-UHFFFAOYSA-N
MW242.33 g/mol
LogP3.10
Rot. Bonds3

About 2-amino-3-(2-methylpentan-3-yl)benzimidazole-5-carbonitrile

2-amino-3-(2-methylpentan-3-yl)benzimidazole-5-carbonitrile (PubChem CID 113444535) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-amino-3-(2-methylpentan-3-yl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-amino-3-(2-methylpentan-3-yl)benzimidazole-5-carbonitrile
PubChem CID113444535
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2-amino-3-(2-methylpentan-3-yl)benzimidazole-5-carbonitrile
SMILESCCC(C(C)C)n1c(N)nc2ccc(C#N)cc21
InChIInChI=1S/C14H18N4/c1-4-12(9(2)3)18-13-7-10(8-15)5-6-11(13)17-14(18)16/h5-7,9,12H,4H2,1-3H3,(H2,16,17)
InChIKeyUEGRMUNKZRSYRX-UHFFFAOYSA-N
XLogP3.10
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-hexan-3-ylbenzimidazole-5-carbonitrile
CID 104714989
2-amino-3-hexan-2-ylbenzimidazole-5-carbonitrile
CID 104714994
2-amino-3-[1-(4-fluorophenyl)ethyl]benzimidazole-5-carbonitrile
CID 104714906
2-amino-3-(3-methylbutyl)benzimidazole-5-carbonitrile
CID 104714701
2-amino-3-[1-(4-bromophenyl)ethyl]benzimidazole-5-carbonitrile
CID 104714913
2-amino-3-(2-ethoxypropyl)benzimidazole-5-carbonitrile
CID 113477805
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-(1-chloroethyl)-3-ethylbenzimidazole-5-carbonitrile
CID 104715265
2-amino-3-(2-ethoxyphenyl)benzimidazole-5-carbonitrile
CID 104714819
2-amino-3-(4-ethoxyphenyl)benzimidazole-5-carbonitrile
CID 104714758
2-(4-aminobutyl)-3-propan-2-ylbenzimidazole-5-carbonitrile
CID 23155537

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-methylpentan-3-yl)benzimidazole-5-carbonitrile?
The IUPAC name of 2-amino-3-(2-methylpentan-3-yl)benzimidazole-5-carbonitrile (CID 113444535) is 2-amino-3-(2-methylpentan-3-yl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-amino-3-(2-methylpentan-3-yl)benzimidazole-5-carbonitrile?
The canonical SMILES for 2-amino-3-(2-methylpentan-3-yl)benzimidazole-5-carbonitrile is CCC(C(C)C)n1c(N)nc2ccc(C#N)cc21.
What is the InChIKey of 2-amino-3-(2-methylpentan-3-yl)benzimidazole-5-carbonitrile?
The InChIKey is UEGRMUNKZRSYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-4-12(9(2)3)18-13-7-10(8-15)5-6-11(13)17-14(18)16/h5-7,9,12H,4H2,1-3H3,(H2,16,17).
What are the key properties of 2-amino-3-(2-methylpentan-3-yl)benzimidazole-5-carbonitrile?
2-amino-3-(2-methylpentan-3-yl)benzimidazole-5-carbonitrile has a molecular weight of 242.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-methylpentan-3-yl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 113444535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).