N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide

C22H26N4O3 — CID 29180108

IUPACN-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)c1
InChIInChI=1S/C22H26N4O3/c1-24-19-13-17(23-21(27)15-8-7-9-16(12-15)29-3)18(26-10-5-4-6-11-26)14-20(19)25(2)22(24)28/h7-9,12-14H,4-6,10-11H2,1-3H3,(H,23,27)
InChIKeyNJFGFBPEEDLUSJ-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.13
Rot. Bonds4

About N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide

N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide (PubChem CID 29180108) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide
PubChem CID29180108
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)c1
InChIInChI=1S/C22H26N4O3/c1-24-19-13-17(23-21(27)15-8-7-9-16(12-15)29-3)18(26-10-5-4-6-11-26)14-20(19)25(2)22(24)28/h7-9,12-14H,4-6,10-11H2,1-3H3,(H,23,27)
InChIKeyNJFGFBPEEDLUSJ-UHFFFAOYSA-N
XLogP3.13
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Pfi-4
CID 40642506
N-[1,3-Dimethyl-6-[(2r)-2-Methylpiperazin-1-Yl]-2-Oxidanylidene-Benzimidazol-5-Yl]-2-Methoxy-Benzamide
CID 121232405
N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2-methoxybenzamide
CID 15990224
4-Methoxy-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 21428971
3,4,5-Trimethoxy-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 25105703
N-[1,3-Dimethyl-6-[(2r)-2-Methylpiperazin-1-Yl]-2-Oxidanylidene-Benzimidazol-5-Yl]-N-Ethyl-2-Methoxy-Benzamide
CID 121232406
3-Methoxy-N-[2-(4-p-tolyl-piperazin-1-yl)-ethyl]-benzamide
CID 11131951
N-benzoyl-4-(4-methoxyphenyl)-1-piperazinecarboxamide
CID 701195
3-butoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 1619779
2,3-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 2361470
(E)-3-(3-methoxyphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)prop-2-enamide
CID 2407329
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3-methoxybenzamide
CID 2988057

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide?
The IUPAC name of N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide (CID 29180108) is N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)c1.
What is the InChIKey of N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide?
The InChIKey is NJFGFBPEEDLUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-24-19-13-17(23-21(27)15-8-7-9-16(12-15)29-3)18(26-10-5-4-6-11-26)14-20(19)25(2)22(24)28/h7-9,12-14H,4-6,10-11H2,1-3H3,(H,23,27).
What are the key properties of N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide?
N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide has a molecular weight of 394.48 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide is sourced from PubChem (CID 29180108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).