N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-oxo-4-phenylbutanamide

C21H23N3O2 — CID 51097095

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-oxo-4-phenylbutanamide
SMILESCCn1c(CN(C)C(=O)CCC(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C21H23N3O2/c1-3-24-18-12-8-7-11-17(18)22-20(24)15-23(2)21(26)14-13-19(25)16-9-5-4-6-10-16/h4-12H,3,13-15H2,1-2H3
InChIKeyYVZIBPFJTPRGAG-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.68
Rot. Bonds7

About N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-oxo-4-phenylbutanamide

N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-oxo-4-phenylbutanamide (PubChem CID 51097095) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-oxo-4-phenylbutanamide
PubChem CID51097095
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-oxo-4-phenylbutanamide
SMILESCCn1c(CN(C)C(=O)CCC(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C21H23N3O2/c1-3-24-18-12-8-7-11-17(18)22-20(24)15-23(2)21(26)14-13-19(25)16-9-5-4-6-10-16/h4-12H,3,13-15H2,1-2H3
InChIKeyYVZIBPFJTPRGAG-UHFFFAOYSA-N
XLogP3.68
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butylsulfanyl-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methylacetamide
CID 60597055
N-[(1-ethylbenzimidazol-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 51096302
N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-(2-methylphenoxy)butanamide
CID 60597306
N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methylaniline
CID 2991404
N,N-bis[(1-ethylbenzimidazol-2-yl)methyl]aniline
CID 102336325
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390
(1-ethylbenzimidazol-2-yl)-phenylmethanone
CID 67579558
(E)-N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(furan-2-yl)-N-methylprop-2-enamide
CID 51096299
1-(1-ethylbenzimidazol-2-yl)butan-2-one
CID 79754082
3-(1-ethylbenzimidazol-2-yl)-2,2-difluoropropanoic acid
CID 79753743
N-[[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-3-carboxamide
CID 16964202
3-[2-(diethylaminomethyl)benzimidazol-1-yl]propanoic acid
CID 82310964

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-oxo-4-phenylbutanamide?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-oxo-4-phenylbutanamide (CID 51097095) is N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-oxo-4-phenylbutanamide is CCn1c(CN(C)C(=O)CCC(=O)c2ccccc2)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-oxo-4-phenylbutanamide?
The InChIKey is YVZIBPFJTPRGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-24-18-12-8-7-11-17(18)22-20(24)15-23(2)21(26)14-13-19(25)16-9-5-4-6-10-16/h4-12H,3,13-15H2,1-2H3.
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-oxo-4-phenylbutanamide?
N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-oxo-4-phenylbutanamide has a molecular weight of 349.43 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 51097095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).