4-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3,5-dimethoxybenzamide

C20H22BrN3O3 — CID 60597747

IUPAC4-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3,5-dimethoxybenzamide
SMILESCCn1c(C(C)NC(=O)c2cc(OC)c(Br)c(OC)c2)nc2ccccc21
InChIInChI=1S/C20H22BrN3O3/c1-5-24-15-9-7-6-8-14(15)23-19(24)12(2)22-20(25)13-10-16(26-3)18(21)17(11-13)27-4/h6-12H,5H2,1-4H3,(H,22,25)
InChIKeyWCYGMGRPIWVEGP-UHFFFAOYSA-N
MW432.32 g/mol
LogP4.33
Rot. Bonds6

About 4-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3,5-dimethoxybenzamide

4-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3,5-dimethoxybenzamide (PubChem CID 60597747) has the molecular formula C20H22BrN3O3 and a molecular weight of 432.32 g/mol. Its IUPAC name is 4-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3,5-dimethoxybenzamide
PubChem CID60597747
Molecular FormulaC20H22BrN3O3
Molecular Weight432.32 g/mol
Exact Mass431.08
IUPAC Name4-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3,5-dimethoxybenzamide
SMILESCCn1c(C(C)NC(=O)c2cc(OC)c(Br)c(OC)c2)nc2ccccc21
InChIInChI=1S/C20H22BrN3O3/c1-5-24-15-9-7-6-8-14(15)23-19(24)12(2)22-20(25)13-10-16(26-3)18(21)17(11-13)27-4/h6-12H,5H2,1-4H3,(H,22,25)
InChIKeyWCYGMGRPIWVEGP-UHFFFAOYSA-N
XLogP4.33
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.32
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 17009790
N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 17009789
N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-3-(methoxymethyl)benzamide
CID 95233946
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 17009937
N-[1-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]ethyl]-3,4-dimethoxybenzamide
CID 17009932
3,4-dimethoxy-N-[1-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 17009941
4-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzamide
CID 751147
4-amino-5-chloro-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide
CID 119866258
3,4,5-trimethoxy-N-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 17009819
3-bromo-N-[1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010283
methyl 2-[2-[1-[(3-bromobenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 17010396
3-acetamido-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-4-methylbenzamide
CID 86858408

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3,5-dimethoxybenzamide?
The IUPAC name of 4-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3,5-dimethoxybenzamide (CID 60597747) is 4-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for 4-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3,5-dimethoxybenzamide is CCn1c(C(C)NC(=O)c2cc(OC)c(Br)c(OC)c2)nc2ccccc21.
What is the InChIKey of 4-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3,5-dimethoxybenzamide?
The InChIKey is WCYGMGRPIWVEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O3/c1-5-24-15-9-7-6-8-14(15)23-19(24)12(2)22-20(25)13-10-16(26-3)18(21)17(11-13)27-4/h6-12H,5H2,1-4H3,(H,22,25).
What are the key properties of 4-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3,5-dimethoxybenzamide?
4-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3,5-dimethoxybenzamide has a molecular weight of 432.32 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 60597747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).