N-[6-(4-ethyl-2-methylpiperazin-1-yl)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methoxybenzamide

C24H31N5O3 — CID 178107683

IUPACN-[6-(4-ethyl-2-methylpiperazin-1-yl)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methoxybenzamide
SMILESCCN1CCN(c2cc3c(cc2NC(=O)c2ccccc2OC)n(C)c(=O)n3C)C(C)C1
InChIInChI=1S/C24H31N5O3/c1-6-28-11-12-29(16(2)15-28)19-14-21-20(26(3)24(31)27(21)4)13-18(19)25-23(30)17-9-7-8-10-22(17)32-5/h7-10,13-14,16H,6,11-12,15H2,1-5H3,(H,25,30)
InChIKeySQHHQAQYGOSUNL-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.67
Rot. Bonds5

About N-[6-(4-ethyl-2-methylpiperazin-1-yl)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methoxybenzamide

N-[6-(4-ethyl-2-methylpiperazin-1-yl)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methoxybenzamide (PubChem CID 178107683) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[6-(4-ethyl-2-methylpiperazin-1-yl)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[6-(4-ethyl-2-methylpiperazin-1-yl)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methoxybenzamide
PubChem CID178107683
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC NameN-[6-(4-ethyl-2-methylpiperazin-1-yl)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methoxybenzamide
SMILESCCN1CCN(c2cc3c(cc2NC(=O)c2ccccc2OC)n(C)c(=O)n3C)C(C)C1
InChIInChI=1S/C24H31N5O3/c1-6-28-11-12-29(16(2)15-28)19-14-21-20(26(3)24(31)27(21)4)13-18(19)25-23(30)17-9-7-8-10-22(17)32-5/h7-10,13-14,16H,6,11-12,15H2,1-5H3,(H,25,30)
InChIKeySQHHQAQYGOSUNL-UHFFFAOYSA-N
XLogP2.67
TPSA71.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-(4-ethyl-2-methylpiperazin-1-yl)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methoxybenzamide with MolForge

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Related Compounds

N-(1,3-dimethyl-2-oxo-6-propan-2-yloxybenzimidazol-5-yl)-2-methoxybenzamide
CID 127044824
N-(1,4-diethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-2-methoxybenzamide
CID 15990188
N-[7-(diethylamino)-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl]-2-methoxybenzamide
CID 50792211
N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-fluorobenzamide
CID 40642475
ethyl 1-[6-[(2-bromobenzoyl)amino]-1,3-dimethyl-2-oxobenzimidazol-5-yl]piperidine-4-carboxylate
CID 24789848
2-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 1119717
N-[2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-2-methoxybenzamide
CID 4887664
2-methoxy-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1422102
N-(5-amino-2-piperidin-1-ylphenyl)-2-methoxybenzamide
CID 91675480
2-methoxy-N-(5-nitro-2-pyrrolidin-1-ylphenyl)benzamide
CID 2965786
N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-methoxybenzamide
CID 100803336
2-methoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 935026

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-ethyl-2-methylpiperazin-1-yl)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methoxybenzamide?
The IUPAC name of N-[6-(4-ethyl-2-methylpiperazin-1-yl)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methoxybenzamide (CID 178107683) is N-[6-(4-ethyl-2-methylpiperazin-1-yl)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[6-(4-ethyl-2-methylpiperazin-1-yl)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methoxybenzamide?
The canonical SMILES for N-[6-(4-ethyl-2-methylpiperazin-1-yl)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methoxybenzamide is CCN1CCN(c2cc3c(cc2NC(=O)c2ccccc2OC)n(C)c(=O)n3C)C(C)C1.
What is the InChIKey of N-[6-(4-ethyl-2-methylpiperazin-1-yl)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methoxybenzamide?
The InChIKey is SQHHQAQYGOSUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-6-28-11-12-29(16(2)15-28)19-14-21-20(26(3)24(31)27(21)4)13-18(19)25-23(30)17-9-7-8-10-22(17)32-5/h7-10,13-14,16H,6,11-12,15H2,1-5H3,(H,25,30).
What are the key properties of N-[6-(4-ethyl-2-methylpiperazin-1-yl)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methoxybenzamide?
N-[6-(4-ethyl-2-methylpiperazin-1-yl)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methoxybenzamide has a molecular weight of 437.54 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-ethyl-2-methylpiperazin-1-yl)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-2-methoxybenzamide is sourced from PubChem (CID 178107683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).