[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]-(1-methylbenzimidazol-2-yl)methanone;dihydrochloride

C19H28Cl2N4O2 — CID 154900788

IUPAC[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]-(1-methylbenzimidazol-2-yl)methanone;dihydrochloride
SMILESCl.Cl.Cn1c(C(=O)N2CCC3(CCNCC3CO)CC2)nc2ccccc21
InChIInChI=1S/C19H26N4O2.2ClH/c1-22-16-5-3-2-4-15(16)21-17(22)18(25)23-10-7-19(8-11-23)6-9-20-12-14(19)13-24;;/h2-5,14,20,24H,6-13H2,1H3;2*1H
InChIKeyCLLALNLTPGOUJM-UHFFFAOYSA-N
MW415.37 g/mol
LogP2.24
Rot. Bonds2

About [11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]-(1-methylbenzimidazol-2-yl)methanone;dihydrochloride

[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]-(1-methylbenzimidazol-2-yl)methanone;dihydrochloride (PubChem CID 154900788) has the molecular formula C19H28Cl2N4O2 and a molecular weight of 415.37 g/mol. Its IUPAC name is [11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]-(1-methylbenzimidazol-2-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]-(1-methylbenzimidazol-2-yl)methanone;dihydrochloride
PubChem CID154900788
Molecular FormulaC19H28Cl2N4O2
Molecular Weight415.37 g/mol
Exact Mass414.16
IUPAC Name[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]-(1-methylbenzimidazol-2-yl)methanone;dihydrochloride
SMILESCl.Cl.Cn1c(C(=O)N2CCC3(CCNCC3CO)CC2)nc2ccccc21
InChIInChI=1S/C19H26N4O2.2ClH/c1-22-16-5-3-2-4-15(16)21-17(22)18(25)23-10-7-19(8-11-23)6-9-20-12-14(19)13-24;;/h2-5,14,20,24H,6-13H2,1H3;2*1H
InChIKeyCLLALNLTPGOUJM-UHFFFAOYSA-N
XLogP2.24
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylbenzimidazol-2-yl)-piperidin-1-ylmethanone
CID 110469012
2-(1-methylbenzimidazol-2-yl)-1-(4-methylpiperidin-4-yl)ethanone
CID 116567574
1-(1-methylbenzimidazol-2-yl)pentane-1,3-dione
CID 43114701
N-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 119889969
sodium 1-methylbenzimidazole-2-carboxylate
CID 131637939
4-[(1-methylbenzimidazol-2-yl)methyl]azepan-4-ol
CID 103982830
4-[3-[2-(piperidine-4-carbonyl)benzimidazol-1-yl]propyl]benzoic acid
CID 140992645
4-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-4-carboxamide
CID 119889945
(1S,6R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide;dihydrochloride
CID 154905048
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-3-carboxamide
CID 119889963
N-[4-(1-methylbenzimidazol-2-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119822821
N-(1-propylbenzimidazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119265083

Frequently Asked Questions

What is the IUPAC name of [11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]-(1-methylbenzimidazol-2-yl)methanone;dihydrochloride?
The IUPAC name of [11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]-(1-methylbenzimidazol-2-yl)methanone;dihydrochloride (CID 154900788) is [11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]-(1-methylbenzimidazol-2-yl)methanone;dihydrochloride.
What is the SMILES notation for [11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]-(1-methylbenzimidazol-2-yl)methanone;dihydrochloride?
The canonical SMILES for [11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]-(1-methylbenzimidazol-2-yl)methanone;dihydrochloride is Cl.Cl.Cn1c(C(=O)N2CCC3(CCNCC3CO)CC2)nc2ccccc21.
What is the InChIKey of [11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]-(1-methylbenzimidazol-2-yl)methanone;dihydrochloride?
The InChIKey is CLLALNLTPGOUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2.2ClH/c1-22-16-5-3-2-4-15(16)21-17(22)18(25)23-10-7-19(8-11-23)6-9-20-12-14(19)13-24;;/h2-5,14,20,24H,6-13H2,1H3;2*1H.
What are the key properties of [11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]-(1-methylbenzimidazol-2-yl)methanone;dihydrochloride?
[11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]-(1-methylbenzimidazol-2-yl)methanone;dihydrochloride has a molecular weight of 415.37 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [11-(hydroxymethyl)-3,9-diazaspiro[5.5]undecan-3-yl]-(1-methylbenzimidazol-2-yl)methanone;dihydrochloride is sourced from PubChem (CID 154900788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).