N-[1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide

C27H28N4O3 — CID 16968068

IUPACN-[1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
SMILESCCN(C(=O)Cn1c(C(C)NC(=O)c2ccccc2OC)nc2ccccc21)c1ccccc1
InChIInChI=1S/C27H28N4O3/c1-4-30(20-12-6-5-7-13-20)25(32)18-31-23-16-10-9-15-22(23)29-26(31)19(2)28-27(33)21-14-8-11-17-24(21)34-3/h5-17,19H,4,18H2,1-3H3,(H,28,33)
InChIKeyGTEDCFYIVBXWIQ-UHFFFAOYSA-N
MW456.55 g/mol
LogP4.59
Rot. Bonds8

About N-[1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide

N-[1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide (PubChem CID 16968068) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-[1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
PubChem CID16968068
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC NameN-[1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
SMILESCCN(C(=O)Cn1c(C(C)NC(=O)c2ccccc2OC)nc2ccccc21)c1ccccc1
InChIInChI=1S/C27H28N4O3/c1-4-30(20-12-6-5-7-13-20)25(32)18-31-23-16-10-9-15-22(23)29-26(31)19(2)28-27(33)21-14-8-11-17-24(21)34-3/h5-17,19H,4,18H2,1-3H3,(H,28,33)
InChIKeyGTEDCFYIVBXWIQ-UHFFFAOYSA-N
XLogP4.59
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967438
N-[(1R)-1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100872
N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide
CID 16967951
2-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
CID 4201077
2-methoxy-N-[1-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16968045
N-[1-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 16967966
2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16972964
2-(3,4-dimethoxyphenyl)-N-[1-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16972963
N-ethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-N-phenylacetamide
CID 17001382
2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide
CID 16969289
N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
CID 16967909
N-ethyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-phenylacetamide
CID 17006635

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide?
The IUPAC name of N-[1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide (CID 16968068) is N-[1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide?
The canonical SMILES for N-[1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide is CCN(C(=O)Cn1c(C(C)NC(=O)c2ccccc2OC)nc2ccccc21)c1ccccc1.
What is the InChIKey of N-[1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide?
The InChIKey is GTEDCFYIVBXWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-4-30(20-12-6-5-7-13-20)25(32)18-31-23-16-10-9-15-22(23)29-26(31)19(2)28-27(33)21-14-8-11-17-24(21)34-3/h5-17,19H,4,18H2,1-3H3,(H,28,33).
What are the key properties of N-[1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide?
N-[1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide has a molecular weight of 456.55 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide is sourced from PubChem (CID 16968068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).