N-[2-(4-chlorophenoxy)ethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide

C19H20ClN3O2 — CID 71934907

IUPACN-[2-(4-chlorophenoxy)ethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)N(C)CCOc3ccc(Cl)cc3)ccc2n1C
InChIInChI=1S/C19H20ClN3O2/c1-13-21-17-12-14(4-9-18(17)23(13)3)19(24)22(2)10-11-25-16-7-5-15(20)6-8-16/h4-9,12H,10-11H2,1-3H3
InChIKeyTVCJVYCHLKVNBZ-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.69
Rot. Bonds5

About N-[2-(4-chlorophenoxy)ethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide

N-[2-(4-chlorophenoxy)ethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide (PubChem CID 71934907) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide
PubChem CID71934907
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)N(C)CCOc3ccc(Cl)cc3)ccc2n1C
InChIInChI=1S/C19H20ClN3O2/c1-13-21-17-12-14(4-9-18(17)23(13)3)19(24)22(2)10-11-25-16-7-5-15(20)6-8-16/h4-9,12H,10-11H2,1-3H3
InChIKeyTVCJVYCHLKVNBZ-UHFFFAOYSA-N
XLogP3.69
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide
CID 112792740
N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide
CID 110765803
N-[2-(4-chlorophenoxy)ethyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 35691977
4-bromo-N-[2-(4-chlorophenoxy)ethyl]-3-fluoro-N-methylbenzamide
CID 60589214
N-[2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 110765810
N-[2-(4-chlorophenoxy)ethyl]-4-ethyl-N-methylbenzamide
CID 112792734
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-methylsulfonylbenzamide
CID 31289866
N-[3-(4-chlorophenoxy)propyl]-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide
CID 55898733
4-amino-N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-nitrobenzamide
CID 27795603
N-[2-(4-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 31470074
2-chloro-1-(1,2-dimethylbenzimidazol-5-yl)ethanone
CID 39104493
2-[[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide
CID 50822596

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide (CID 71934907) is N-[2-(4-chlorophenoxy)ethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide is Cc1nc2cc(C(=O)N(C)CCOc3ccc(Cl)cc3)ccc2n1C.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide?
The InChIKey is TVCJVYCHLKVNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-13-21-17-12-14(4-9-18(17)23(13)3)19(24)22(2)10-11-25-16-7-5-15(20)6-8-16/h4-9,12H,10-11H2,1-3H3.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide?
N-[2-(4-chlorophenoxy)ethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide has a molecular weight of 357.84 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-N,1,2-trimethylbenzimidazole-5-carboxamide is sourced from PubChem (CID 71934907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).