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

C13H18N4 — CID 84793876

IUPAC5-methyl-1-piperidin-4-ylbenzimidazol-2-amine
SMILESCc1ccc2c(c1)nc(N)n2C1CCNCC1
InChIInChI=1S/C13H18N4/c1-9-2-3-12-11(8-9)16-13(14)17(12)10-4-6-15-7-5-10/h2-3,8,10,15H,4-7H2,1H3,(H2,14,16)
InChIKeyNPWXOQUNXXHASC-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.85
Rot. Bonds1

About 5-methyl-1-piperidin-4-ylbenzimidazol-2-amine

5-methyl-1-piperidin-4-ylbenzimidazol-2-amine (PubChem CID 84793876) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-methyl-1-piperidin-4-ylbenzimidazol-2-amine.

Molecular Properties

Compound Name5-methyl-1-piperidin-4-ylbenzimidazol-2-amine
PubChem CID84793876
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name5-methyl-1-piperidin-4-ylbenzimidazol-2-amine
SMILESCc1ccc2c(c1)nc(N)n2C1CCNCC1
InChIInChI=1S/C13H18N4/c1-9-2-3-12-11(8-9)16-13(14)17(12)10-4-6-15-7-5-10/h2-3,8,10,15H,4-7H2,1H3,(H2,14,16)
InChIKeyNPWXOQUNXXHASC-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

5-methyl-1-(oxolan-3-yl)benzimidazol-2-amine
CID 80714219
2,5-dimethyl-1-pyrrolidin-3-ylbenzimidazole
CID 84784214
5-methyl-1-(3-methylcyclohexyl)benzimidazol-2-amine
CID 43662068
1-(1,1-dioxothian-3-yl)-5-methylbenzimidazol-2-amine
CID 63923575
4-methyl-1-piperidin-4-ylbenzimidazol-2-amine
CID 84793880
3-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-4-methylaniline
CID 63652621
1-(2-methoxycyclopentyl)-5-methylbenzimidazol-2-amine
CID 62086320
1-cyclopropyl-5-methyl-2-(3-methylpyrrolidin-2-yl)benzimidazole
CID 102776684
4-(1-cyclopropyl-5-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
CID 62807137
1-cyclohexylbenzimidazole-2,5-diamine
CID 84793894
2,5-dimethyl-1-piperidin-3-ylbenzimidazole
CID 84793055
4-bromo-2-(1-cyclopropyl-5-methylbenzimidazol-2-yl)aniline
CID 62073991

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-piperidin-4-ylbenzimidazol-2-amine?
The IUPAC name of 5-methyl-1-piperidin-4-ylbenzimidazol-2-amine (CID 84793876) is 5-methyl-1-piperidin-4-ylbenzimidazol-2-amine.
What is the SMILES notation for 5-methyl-1-piperidin-4-ylbenzimidazol-2-amine?
The canonical SMILES for 5-methyl-1-piperidin-4-ylbenzimidazol-2-amine is Cc1ccc2c(c1)nc(N)n2C1CCNCC1.
What is the InChIKey of 5-methyl-1-piperidin-4-ylbenzimidazol-2-amine?
The InChIKey is NPWXOQUNXXHASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9-2-3-12-11(8-9)16-13(14)17(12)10-4-6-15-7-5-10/h2-3,8,10,15H,4-7H2,1H3,(H2,14,16).
What are the key properties of 5-methyl-1-piperidin-4-ylbenzimidazol-2-amine?
5-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 5-methyl-1-piperidin-4-ylbenzimidazol-2-amine is sourced from PubChem (CID 84793876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).