N-(3-ethylphenyl)-N'-methyl-N'-[(1-methylbenzimidazol-2-yl)methyl]butanediamide

C22H26N4O2 — CID 50957001

IUPACN-(3-ethylphenyl)-N'-methyl-N'-[(1-methylbenzimidazol-2-yl)methyl]butanediamide
SMILESCCc1cccc(NC(=O)CCC(=O)N(C)Cc2nc3ccccc3n2C)c1
InChIInChI=1S/C22H26N4O2/c1-4-16-8-7-9-17(14-16)23-21(27)12-13-22(28)25(2)15-20-24-18-10-5-6-11-19(18)26(20)3/h5-11,14H,4,12-13,15H2,1-3H3,(H,23,27)
InChIKeyLCCNPRXVUWKATE-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.51
Rot. Bonds7

About N-(3-ethylphenyl)-N'-methyl-N'-[(1-methylbenzimidazol-2-yl)methyl]butanediamide

N-(3-ethylphenyl)-N'-methyl-N'-[(1-methylbenzimidazol-2-yl)methyl]butanediamide (PubChem CID 50957001) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-(3-ethylphenyl)-N'-methyl-N'-[(1-methylbenzimidazol-2-yl)methyl]butanediamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-N'-methyl-N'-[(1-methylbenzimidazol-2-yl)methyl]butanediamide
PubChem CID50957001
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-(3-ethylphenyl)-N'-methyl-N'-[(1-methylbenzimidazol-2-yl)methyl]butanediamide
SMILESCCc1cccc(NC(=O)CCC(=O)N(C)Cc2nc3ccccc3n2C)c1
InChIInChI=1S/C22H26N4O2/c1-4-16-8-7-9-17(14-16)23-21(27)12-13-22(28)25(2)15-20-24-18-10-5-6-11-19(18)26(20)3/h5-11,14H,4,12-13,15H2,1-3H3,(H,23,27)
InChIKeyLCCNPRXVUWKATE-UHFFFAOYSA-N
XLogP3.51
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 20933815
3-(benzimidazol-1-yl)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 46328435
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-propan-2-yloxypropanamide
CID 56787204
N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-2-(4-methylphenyl)acetamide
CID 50784494
N-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide
CID 46339322
N-[1-methyl-2-[[methyl(propan-2-ylcarbamoyl)amino]methyl]benzimidazol-5-yl]-3-phenylpropanamide
CID 52901844
3-(dimethylamino)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46328410
2-chloro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46328429
methyl 2-[3-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]acetate
CID 75518351
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-ethylphenyl)acetamide
CID 5134658
2-(2-ethylbenzimidazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39673621
N-(3-ethylphenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 86979438

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-N'-methyl-N'-[(1-methylbenzimidazol-2-yl)methyl]butanediamide?
The IUPAC name of N-(3-ethylphenyl)-N'-methyl-N'-[(1-methylbenzimidazol-2-yl)methyl]butanediamide (CID 50957001) is N-(3-ethylphenyl)-N'-methyl-N'-[(1-methylbenzimidazol-2-yl)methyl]butanediamide.
What is the SMILES notation for N-(3-ethylphenyl)-N'-methyl-N'-[(1-methylbenzimidazol-2-yl)methyl]butanediamide?
The canonical SMILES for N-(3-ethylphenyl)-N'-methyl-N'-[(1-methylbenzimidazol-2-yl)methyl]butanediamide is CCc1cccc(NC(=O)CCC(=O)N(C)Cc2nc3ccccc3n2C)c1.
What is the InChIKey of N-(3-ethylphenyl)-N'-methyl-N'-[(1-methylbenzimidazol-2-yl)methyl]butanediamide?
The InChIKey is LCCNPRXVUWKATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-4-16-8-7-9-17(14-16)23-21(27)12-13-22(28)25(2)15-20-24-18-10-5-6-11-19(18)26(20)3/h5-11,14H,4,12-13,15H2,1-3H3,(H,23,27).
What are the key properties of N-(3-ethylphenyl)-N'-methyl-N'-[(1-methylbenzimidazol-2-yl)methyl]butanediamide?
N-(3-ethylphenyl)-N'-methyl-N'-[(1-methylbenzimidazol-2-yl)methyl]butanediamide has a molecular weight of 378.48 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-N'-methyl-N'-[(1-methylbenzimidazol-2-yl)methyl]butanediamide is sourced from PubChem (CID 50957001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).