[4-[3-(dimethylamino)propyl]piperidin-1-yl]-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]methanone

C20H30N4O2 — CID 166259592

IUPAC[4-[3-(dimethylamino)propyl]piperidin-1-yl]-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]methanone
SMILESCN(C)CCCC1CCN(C(=O)c2ccc3c(c2)nc(CO)n3C)CC1
InChIInChI=1S/C20H30N4O2/c1-22(2)10-4-5-15-8-11-24(12-9-15)20(26)16-6-7-18-17(13-16)21-19(14-25)23(18)3/h6-7,13,15,25H,4-5,8-12,14H2,1-3H3
InChIKeyUAAKZAUGAPWPHZ-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.26
Rot. Bonds6

About [4-[3-(dimethylamino)propyl]piperidin-1-yl]-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]methanone

[4-[3-(dimethylamino)propyl]piperidin-1-yl]-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]methanone (PubChem CID 166259592) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is [4-[3-(dimethylamino)propyl]piperidin-1-yl]-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]methanone.

Molecular Properties

Compound Name[4-[3-(dimethylamino)propyl]piperidin-1-yl]-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]methanone
PubChem CID166259592
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name[4-[3-(dimethylamino)propyl]piperidin-1-yl]-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]methanone
SMILESCN(C)CCCC1CCN(C(=O)c2ccc3c(c2)nc(CO)n3C)CC1
InChIInChI=1S/C20H30N4O2/c1-22(2)10-4-5-15-8-11-24(12-9-15)20(26)16-6-7-18-17(13-16)21-19(14-25)23(18)3/h6-7,13,15,25H,4-5,8-12,14H2,1-3H3
InChIKeyUAAKZAUGAPWPHZ-UHFFFAOYSA-N
XLogP2.26
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(hydroxymethyl)-1-methylbenzimidazole-5-carboxylic acid;hydrochloride
CID 126810084
11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]methanone
CID 138016864
(4-tert-butylphenyl)-[4-[[1-methyl-5-(pyrrolidine-1-carbonyl)benzimidazol-2-yl]methyl]piperazin-1-yl]methanone
CID 50822440
4-cyclohexyl-N-methyl-N-[[1-methyl-5-(pyrrolidine-1-carbonyl)benzimidazol-2-yl]methyl]benzenesulfonamide
CID 50823840
2-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide
CID 50822515
N,N-dimethyl-2-[1-(1-methylbenzimidazole-5-carbonyl)piperidin-4-yl]acetamide
CID 92633830
1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carboxylic acid
CID 84637794
1-methyl-3-(3-methylbutyl)-1-[[1-methyl-5-(pyrrolidine-1-carbonyl)benzimidazol-2-yl]methyl]urea
CID 53104167
[2-[1-(cyclopropylmethyl)-5-phenylpyrrol-2-yl]-1-methylbenzimidazol-5-yl]-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 156528942
(1,2-dimethylbenzimidazol-5-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95759028
2-(2-bicyclo[2.2.1]heptanylmethyl)-1-methylbenzimidazole-5-carboxylic acid
CID 63892629
(1-ethylbenzotriazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60958042

Frequently Asked Questions

What is the IUPAC name of [4-[3-(dimethylamino)propyl]piperidin-1-yl]-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]methanone?
The IUPAC name of [4-[3-(dimethylamino)propyl]piperidin-1-yl]-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]methanone (CID 166259592) is [4-[3-(dimethylamino)propyl]piperidin-1-yl]-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]methanone.
What is the SMILES notation for [4-[3-(dimethylamino)propyl]piperidin-1-yl]-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]methanone?
The canonical SMILES for [4-[3-(dimethylamino)propyl]piperidin-1-yl]-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]methanone is CN(C)CCCC1CCN(C(=O)c2ccc3c(c2)nc(CO)n3C)CC1.
What is the InChIKey of [4-[3-(dimethylamino)propyl]piperidin-1-yl]-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]methanone?
The InChIKey is UAAKZAUGAPWPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-22(2)10-4-5-15-8-11-24(12-9-15)20(26)16-6-7-18-17(13-16)21-19(14-25)23(18)3/h6-7,13,15,25H,4-5,8-12,14H2,1-3H3.
What are the key properties of [4-[3-(dimethylamino)propyl]piperidin-1-yl]-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]methanone?
[4-[3-(dimethylamino)propyl]piperidin-1-yl]-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]methanone has a molecular weight of 358.49 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(dimethylamino)propyl]piperidin-1-yl]-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]methanone is sourced from PubChem (CID 166259592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).