6-chloro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine

C15H21ClN4 — CID 115470557

IUPAC6-chloro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
SMILESCC(Cn1c(N)nc2ccc(Cl)cc21)N1CCCCC1
InChIInChI=1S/C15H21ClN4/c1-11(19-7-3-2-4-8-19)10-20-14-9-12(16)5-6-13(14)18-15(20)17/h5-6,9,11H,2-4,7-8,10H2,1H3,(H2,17,18)
InChIKeyJEOZYQNFENXDNU-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.15
Rot. Bonds3

About 6-chloro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine

6-chloro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine (PubChem CID 115470557) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is 6-chloro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
PubChem CID115470557
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name6-chloro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
SMILESCC(Cn1c(N)nc2ccc(Cl)cc21)N1CCCCC1
InChIInChI=1S/C15H21ClN4/c1-11(19-7-3-2-4-8-19)10-20-14-9-12(16)5-6-13(14)18-15(20)17/h5-6,9,11H,2-4,7-8,10H2,1H3,(H2,17,18)
InChIKeyJEOZYQNFENXDNU-UHFFFAOYSA-N
XLogP3.15
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
CID 66101974
6-bromo-5-fluoro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
CID 116738265
5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
CID 66082189
6-chloro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine
CID 115470569
6-chloro-1-(2-ethylhexyl)benzimidazol-2-amine
CID 107816969
6-chloro-1-[2-[methyl(propan-2-yl)amino]ethyl]benzimidazol-2-amine
CID 115470600
2-(2-amino-6-chlorobenzimidazol-1-yl)acetic acid
CID 84735746
5-chloro-1-(1-pyrrolidin-1-ylpropan-2-yl)benzimidazol-2-amine
CID 61474789
1-(2-amino-6-chlorobenzimidazol-1-yl)-2-methylpropan-2-ol
CID 127053654
2-amino-1-(2-piperidin-1-ylpropyl)benzimidazole-4-carbonitrile
CID 104718908
6-chloro-1-[(5-chlorothiophen-2-yl)methyl]benzimidazol-2-amine
CID 115470651
6-chloro-1-(5-methylhexan-2-yl)benzimidazol-2-amine
CID 113316215

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine?
The IUPAC name of 6-chloro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine (CID 115470557) is 6-chloro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine.
What is the SMILES notation for 6-chloro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine?
The canonical SMILES for 6-chloro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine is CC(Cn1c(N)nc2ccc(Cl)cc21)N1CCCCC1.
What is the InChIKey of 6-chloro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine?
The InChIKey is JEOZYQNFENXDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-11(19-7-3-2-4-8-19)10-20-14-9-12(16)5-6-13(14)18-15(20)17/h5-6,9,11H,2-4,7-8,10H2,1H3,(H2,17,18).
What are the key properties of 6-chloro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine?
6-chloro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine has a molecular weight of 292.81 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine is sourced from PubChem (CID 115470557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).