4-methyl-1-piperidin-4-ylbenzimidazol-2-amine

C13H18N4 — CID 84793880

IUPAC4-methyl-1-piperidin-4-ylbenzimidazol-2-amine
SMILESCc1cccc2c1nc(N)n2C1CCNCC1
InChIInChI=1S/C13H18N4/c1-9-3-2-4-11-12(9)16-13(14)17(11)10-5-7-15-8-6-10/h2-4,10,15H,5-8H2,1H3,(H2,14,16)
InChIKeyMDOCRSLUKRJTDA-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.85
Rot. Bonds1

About 4-methyl-1-piperidin-4-ylbenzimidazol-2-amine

4-methyl-1-piperidin-4-ylbenzimidazol-2-amine (PubChem CID 84793880) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-methyl-1-piperidin-4-ylbenzimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-piperidin-4-ylbenzimidazol-2-amine
PubChem CID84793880
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name4-methyl-1-piperidin-4-ylbenzimidazol-2-amine
SMILESCc1cccc2c1nc(N)n2C1CCNCC1
InChIInChI=1S/C13H18N4/c1-9-3-2-4-11-12(9)16-13(14)17(11)10-5-7-15-8-6-10/h2-4,10,15H,5-8H2,1H3,(H2,14,16)
InChIKeyMDOCRSLUKRJTDA-UHFFFAOYSA-N
XLogP1.85
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-1-piperidin-4-ylbenzimidazol-2-amine
CID 84796902
4-fluoro-2-methyl-1-piperidin-4-ylbenzimidazole
CID 84796160
5-methyl-1-piperidin-4-ylbenzimidazol-2-amine
CID 84793876
4-(aminomethyl)-1-cyclopropylbenzimidazol-2-amine
CID 84776913
3-(2-amino-4-methylbenzimidazol-1-yl)-1-methylpyrrolidin-2-one
CID 106258960
1,4-dimethylbenzimidazol-2-amine;dihydrochloride
CID 174932005
4-methyl-1-(5,6,7,8-tetrahydroquinoxalin-5-yl)benzimidazol-2-amine
CID 141030573
1-(4-ethylcyclohexyl)-4-fluorobenzimidazol-2-amine
CID 61470261
3,4-dimethyl-1-piperidin-4-ylindazole
CID 84692853
4-fluoro-2-methyl-1-pyrrolidin-3-ylbenzimidazole
CID 84786770
2-amino-1-(4-ethylcyclohexyl)benzimidazole-4-carbonitrile
CID 104718816
2-amino-1-(4-hydroxycyclohexyl)benzimidazole-4-carbonitrile
CID 104718653

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-piperidin-4-ylbenzimidazol-2-amine?
The IUPAC name of 4-methyl-1-piperidin-4-ylbenzimidazol-2-amine (CID 84793880) is 4-methyl-1-piperidin-4-ylbenzimidazol-2-amine.
What is the SMILES notation for 4-methyl-1-piperidin-4-ylbenzimidazol-2-amine?
The canonical SMILES for 4-methyl-1-piperidin-4-ylbenzimidazol-2-amine is Cc1cccc2c1nc(N)n2C1CCNCC1.
What is the InChIKey of 4-methyl-1-piperidin-4-ylbenzimidazol-2-amine?
The InChIKey is MDOCRSLUKRJTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9-3-2-4-11-12(9)16-13(14)17(11)10-5-7-15-8-6-10/h2-4,10,15H,5-8H2,1H3,(H2,14,16).
What are the key properties of 4-methyl-1-piperidin-4-ylbenzimidazol-2-amine?
4-methyl-1-piperidin-4-ylbenzimidazol-2-amine has a molecular weight of 230.31 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-piperidin-4-ylbenzimidazol-2-amine is sourced from PubChem (CID 84793880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).