[6-(1-methoxycarbonylpiperidin-3-yl)-1H-benzimidazol-2-yl]methylazanium chloride

C15H21ClN4O2 — CID 156818032

IUPAC[6-(1-methoxycarbonylpiperidin-3-yl)-1H-benzimidazol-2-yl]methylazanium chloride
SMILESCOC(=O)N1CCCC(c2ccc3nc(C[NH3+])[nH]c3c2)C1.[Cl-]
InChIInChI=1S/C15H20N4O2.ClH/c1-21-15(20)19-6-2-3-11(9-19)10-4-5-12-13(7-10)18-14(8-16)17-12;/h4-5,7,11H,2-3,6,8-9,16H2,1H3,(H,17,18);1H
InChIKeyABDAPFJMAPIPER-UHFFFAOYSA-N
MW324.81 g/mol
LogP-1.75
Rot. Bonds2

About [6-(1-methoxycarbonylpiperidin-3-yl)-1H-benzimidazol-2-yl]methylazanium chloride

[6-(1-methoxycarbonylpiperidin-3-yl)-1H-benzimidazol-2-yl]methylazanium chloride (PubChem CID 156818032) has the molecular formula C15H21ClN4O2 and a molecular weight of 324.81 g/mol. Its IUPAC name is [6-(1-methoxycarbonylpiperidin-3-yl)-1H-benzimidazol-2-yl]methylazanium chloride.

Molecular Properties

Compound Name[6-(1-methoxycarbonylpiperidin-3-yl)-1H-benzimidazol-2-yl]methylazanium chloride
PubChem CID156818032
Molecular FormulaC15H21ClN4O2
Molecular Weight324.81 g/mol
Exact Mass324.14
IUPAC Name[6-(1-methoxycarbonylpiperidin-3-yl)-1H-benzimidazol-2-yl]methylazanium chloride
SMILESCOC(=O)N1CCCC(c2ccc3nc(C[NH3+])[nH]c3c2)C1.[Cl-]
InChIInChI=1S/C15H20N4O2.ClH/c1-21-15(20)19-6-2-3-11(9-19)10-4-5-12-13(7-10)18-14(8-16)17-12;/h4-5,7,11H,2-3,6,8-9,16H2,1H3,(H,17,18);1H
InChIKeyABDAPFJMAPIPER-UHFFFAOYSA-N
XLogP-1.75
TPSA85.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 5-1.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Glasdegib
CID 25166913
Parbendazole
CID 26596
Pf-06305591
CID 71666749
Stk857277
CID 950737
methyl 4-[(3-{(1R)-2-cyano-1-[(5-methyl-3H-imidazo[4,5-b]pyridin-2-yl)amino]ethyl}phenyl)methyl]piperidine-1-carboxylate
CID 132473018
1-Ethyl-3-(5-phenyl-1H-benzoimidazol-2-yl)-urea
CID 18008864
3-ethyl-1-[5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 21365956
3-ethyl-1-[6-fluoro-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 21365985
3-ethyl-1-[6-methyl-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 21365990
1,3-Diethyl-5-(5-m-tolyl-3H-imidazol-4-yl)-1,3-dihydro-benzoimidazol-2-one
CID 22063936
1,3-diethyl-5-(4-phenyl-1H-imidazol-5-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581397
5-[6-amino-2-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23647077

Frequently Asked Questions

What is the IUPAC name of [6-(1-methoxycarbonylpiperidin-3-yl)-1H-benzimidazol-2-yl]methylazanium chloride?
The IUPAC name of [6-(1-methoxycarbonylpiperidin-3-yl)-1H-benzimidazol-2-yl]methylazanium chloride (CID 156818032) is [6-(1-methoxycarbonylpiperidin-3-yl)-1H-benzimidazol-2-yl]methylazanium chloride.
What is the SMILES notation for [6-(1-methoxycarbonylpiperidin-3-yl)-1H-benzimidazol-2-yl]methylazanium chloride?
The canonical SMILES for [6-(1-methoxycarbonylpiperidin-3-yl)-1H-benzimidazol-2-yl]methylazanium chloride is COC(=O)N1CCCC(c2ccc3nc(C[NH3+])[nH]c3c2)C1.[Cl-].
What is the InChIKey of [6-(1-methoxycarbonylpiperidin-3-yl)-1H-benzimidazol-2-yl]methylazanium chloride?
The InChIKey is ABDAPFJMAPIPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2.ClH/c1-21-15(20)19-6-2-3-11(9-19)10-4-5-12-13(7-10)18-14(8-16)17-12;/h4-5,7,11H,2-3,6,8-9,16H2,1H3,(H,17,18);1H.
What are the key properties of [6-(1-methoxycarbonylpiperidin-3-yl)-1H-benzimidazol-2-yl]methylazanium chloride?
[6-(1-methoxycarbonylpiperidin-3-yl)-1H-benzimidazol-2-yl]methylazanium chloride has a molecular weight of 324.81 g/mol, XLogP of -1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-methoxycarbonylpiperidin-3-yl)-1H-benzimidazol-2-yl]methylazanium chloride is sourced from PubChem (CID 156818032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).