1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride

C17H23ClN4O2 — CID 120617009

IUPAC1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
SMILESCOCC1(C(=O)N2CCn3c2nc2ccccc23)CCNCC1.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-23-12-17(6-8-18-9-7-17)15(22)21-11-10-20-14-5-3-2-4-13(14)19-16(20)21;/h2-5,18H,6-12H2,1H3;1H
InChIKeyBKLSVWKQFLJOMF-UHFFFAOYSA-N
MW350.85 g/mol
LogP1.82
Rot. Bonds3

About 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride

1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride (PubChem CID 120617009) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
PubChem CID120617009
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
SMILESCOCC1(C(=O)N2CCn3c2nc2ccccc23)CCNCC1.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-23-12-17(6-8-18-9-7-17)15(22)21-11-10-20-14-5-3-2-4-13(14)19-16(20)21;/h2-5,18H,6-12H2,1H3;1H
InChIKeyBKLSVWKQFLJOMF-UHFFFAOYSA-N
XLogP1.82
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-aminocyclopentyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone;hydrochloride
CID 119265439
2,3-dihydroindol-1-yl-[(3S)-3-(methoxymethyl)pyrrolidin-3-yl]methanone
CID 129465608
4-(methoxymethyl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide
CID 120647168
(2S)-2-amino-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-methylbutan-1-one;hydrochloride
CID 119265449
[4-(methoxymethyl)piperidin-4-yl]-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)methanone;dihydrochloride
CID 120646209
(4-chloro-2,3-dihydroindol-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120633556
[4-(benzenesulfonyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
CID 120616987
[1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone;hydrochloride
CID 120619483
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]cyclopropyl]methanone
CID 90503970
1H-indol-2-yl-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]methanone;hydrochloride
CID 120630039
(4-tert-butylphenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
CID 2435970
(5-bromo-2,3-dihydroindol-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
CID 120620289

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride?
The IUPAC name of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride (CID 120617009) is 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride.
What is the SMILES notation for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride?
The canonical SMILES for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride is COCC1(C(=O)N2CCn3c2nc2ccccc23)CCNCC1.Cl.
What is the InChIKey of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride?
The InChIKey is BKLSVWKQFLJOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.ClH/c1-23-12-17(6-8-18-9-7-17)15(22)21-11-10-20-14-5-3-2-4-13(14)19-16(20)21;/h2-5,18H,6-12H2,1H3;1H.
What are the key properties of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride?
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride is sourced from PubChem (CID 120617009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).