5-chloro-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazol-2-amine

C15H21ClN4 — CID 107164637

IUPAC5-chloro-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazol-2-amine
SMILESCN1CCC(C)(Cn2c(N)nc3cc(Cl)ccc32)CC1
InChIInChI=1S/C15H21ClN4/c1-15(5-7-19(2)8-6-15)10-20-13-4-3-11(16)9-12(13)18-14(20)17/h3-4,9H,5-8,10H2,1-2H3,(H2,17,18)
InChIKeySOUIKLAUVOIBSS-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.00
Rot. Bonds2

About 5-chloro-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazol-2-amine

5-chloro-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazol-2-amine (PubChem CID 107164637) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is 5-chloro-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazol-2-amine
PubChem CID107164637
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name5-chloro-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazol-2-amine
SMILESCN1CCC(C)(Cn2c(N)nc3cc(Cl)ccc32)CC1
InChIInChI=1S/C15H21ClN4/c1-15(5-7-19(2)8-6-15)10-20-13-4-3-11(16)9-12(13)18-14(20)17/h3-4,9H,5-8,10H2,1-2H3,(H2,17,18)
InChIKeySOUIKLAUVOIBSS-UHFFFAOYSA-N
XLogP3.00
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-[[1-(dimethylamino)cyclopentyl]methyl]benzimidazol-2-amine
CID 83115256
5-chloro-1-[[1-(dimethylamino)cyclobutyl]methyl]benzimidazol-2-amine
CID 105419302
5-chloro-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine
CID 114101070
2-(chloromethyl)-1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methylbenzimidazole
CID 107164708
2-(chloromethyl)-1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-iodobenzimidazole
CID 107164719
1-(2-amino-5-chlorobenzimidazol-1-yl)-2-methylpropan-2-ol
CID 127053647
3-(2-amino-5-chlorobenzimidazol-1-yl)propanoic acid
CID 82359358
5-chloro-1-(4,4,4-trifluorobutyl)benzimidazol-2-amine
CID 115520874
6-fluoro-5-iodo-1-[(1-methylcyclobutyl)methyl]benzimidazol-2-amine
CID 114108848
5-chloro-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 115520901
5-chloro-1-(2-cyclopentyloxyethyl)benzimidazol-2-amine
CID 63828806
2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine
CID 63830322

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 5-chloro-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazol-2-amine (CID 107164637) is 5-chloro-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 5-chloro-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazol-2-amine is CN1CCC(C)(Cn2c(N)nc3cc(Cl)ccc32)CC1.
What is the InChIKey of 5-chloro-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazol-2-amine?
The InChIKey is SOUIKLAUVOIBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-15(5-7-19(2)8-6-15)10-20-13-4-3-11(16)9-12(13)18-14(20)17/h3-4,9H,5-8,10H2,1-2H3,(H2,17,18).
What are the key properties of 5-chloro-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazol-2-amine?
5-chloro-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazol-2-amine has a molecular weight of 292.81 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 107164637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).