3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-3-carboxamide;dihydrochloride

C17H26Cl2N4O — CID 119946260

IUPAC3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-3-carboxamide;dihydrochloride
SMILESCc1nc2ccccc2n1CCNC(=O)C1(C)CCCNC1.Cl.Cl
InChIInChI=1S/C17H24N4O.2ClH/c1-13-20-14-6-3-4-7-15(14)21(13)11-10-19-16(22)17(2)8-5-9-18-12-17;;/h3-4,6-7,18H,5,8-12H2,1-2H3,(H,19,22);2*1H
InChIKeyCNVJHLWCHOKFRR-UHFFFAOYSA-N
MW373.33 g/mol
LogP2.69
Rot. Bonds4

About 3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-3-carboxamide;dihydrochloride

3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 119946260) has the molecular formula C17H26Cl2N4O and a molecular weight of 373.33 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-3-carboxamide;dihydrochloride
PubChem CID119946260
Molecular FormulaC17H26Cl2N4O
Molecular Weight373.33 g/mol
Exact Mass372.15
IUPAC Name3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-3-carboxamide;dihydrochloride
SMILESCc1nc2ccccc2n1CCNC(=O)C1(C)CCCNC1.Cl.Cl
InChIInChI=1S/C17H24N4O.2ClH/c1-13-20-14-6-3-4-7-15(14)21(13)11-10-19-16(22)17(2)8-5-9-18-12-17;;/h3-4,6-7,18H,5,8-12H2,1-2H3,(H,19,22);2*1H
InChIKeyCNVJHLWCHOKFRR-UHFFFAOYSA-N
XLogP2.69
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119835380
4-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-4-carboxamide
CID 119835419
2-(1-hydroxycyclohexyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 111331643
(2S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-2-carboxamide
CID 103813344
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CID 79749345
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 18120796
N-[3-(2-methylbenzimidazol-1-yl)propyl]-1-phenylcyclopropane-1-carboxamide
CID 134036894
3-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 63130405
(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
1-[(2-fluorophenyl)methyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 38946290
2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-phenylpropanamide
CID 37210944
3-cyclopentyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 18086784

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of 3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-3-carboxamide;dihydrochloride (CID 119946260) is 3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for 3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-3-carboxamide;dihydrochloride is Cc1nc2ccccc2n1CCNC(=O)C1(C)CCCNC1.Cl.Cl.
What is the InChIKey of 3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-3-carboxamide;dihydrochloride?
The InChIKey is CNVJHLWCHOKFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O.2ClH/c1-13-20-14-6-3-4-7-15(14)21(13)11-10-19-16(22)17(2)8-5-9-18-12-17;;/h3-4,6-7,18H,5,8-12H2,1-2H3,(H,19,22);2*1H.
What are the key properties of 3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-3-carboxamide;dihydrochloride?
3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-3-carboxamide;dihydrochloride has a molecular weight of 373.33 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119946260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).