2-chloro-N-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]benzamide

C23H20ClN3O3 — CID 15991484

IUPAC2-chloro-N-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]benzamide
SMILESCOc1ccccc1OCCn1c(NC(=O)c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C23H20ClN3O3/c1-29-20-12-6-7-13-21(20)30-15-14-27-19-11-5-4-10-18(19)25-23(27)26-22(28)16-8-2-3-9-17(16)24/h2-13H,14-15H2,1H3,(H,25,26,28)
InChIKeyHHVXZHFJFXKBNS-UHFFFAOYSA-N
MW421.88 g/mol
LogP5.03
Rot. Bonds7

About 2-chloro-N-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]benzamide

2-chloro-N-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]benzamide (PubChem CID 15991484) has the molecular formula C23H20ClN3O3 and a molecular weight of 421.88 g/mol. Its IUPAC name is 2-chloro-N-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]benzamide
PubChem CID15991484
Molecular FormulaC23H20ClN3O3
Molecular Weight421.88 g/mol
Exact Mass421.12
IUPAC Name2-chloro-N-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]benzamide
SMILESCOc1ccccc1OCCn1c(NC(=O)c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C23H20ClN3O3/c1-29-20-12-6-7-13-21(20)30-15-14-27-19-11-5-4-10-18(19)25-23(27)26-22(28)16-8-2-3-9-17(16)24/h2-13H,14-15H2,1H3,(H,25,26,28)
InChIKeyHHVXZHFJFXKBNS-UHFFFAOYSA-N
XLogP5.03
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.88
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorobenzamido)-N-(3-methoxybenzyl)-1-(3-methoxypropyl)-1H-benzo[d]imidazole-5-carboxamide
CID 24779894
N-{1-[2-(2-chlorophenoxy)ethyl]-1H-benzimidazol-2-yl}benzamide
CID 1260058
N-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-4-methoxybenzamide
CID 1294201
1-(2-chlorobenzyl)-2-((p-tolyloxy)methyl)-1H-benzo[d]imidazole
CID 1325610
4-Chloro-N-{1-[2-(2-methoxyphenoxy)ethyl]-1H-1,3-benzodiazol-2-YL}benzamide
CID 15991486
N-(2-{1-[3-(4-chlorophenoxy)propyl]-1H-benzimidazol-2-yl}ethyl)cyclohexanecarboxamide
CID 16012625
N-(2-{1-[2-(4-chlorophenoxy)ethyl]-1H-benzimidazol-2-yl}ethyl)cyclohexanecarboxamide
CID 16012647
N-(2-{1-[2-(4-chloro-3-methylphenoxy)ethyl]-1H-benzimidazol-2-yl}ethyl)cyclohexanecarboxamide
CID 16012656
2-[(2-Chlorophenyl)methylamino]-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)imidazo[4,5-b]pyridine-5-carboxamide
CID 46879618
1-(2-chlorobenzyl)-2-((4-methoxyphenoxy)methyl)-1H-benzo[d]imidazole
CID 1332313
2-(2-chlorobenzamido)-N-(3-methoxybenzyl)-1-(3-methoxypropyl)-1H-benzo[d]imidazole-5-carboxamide
CID 24779898
N-(1-butyl-1H-benzo[d]imidazol-2-yl)-4-methoxybenzamide
CID 44412492

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]benzamide (CID 15991484) is 2-chloro-N-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]benzamide is COc1ccccc1OCCn1c(NC(=O)c2ccccc2Cl)nc2ccccc21.
What is the InChIKey of 2-chloro-N-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]benzamide?
The InChIKey is HHVXZHFJFXKBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O3/c1-29-20-12-6-7-13-21(20)30-15-14-27-19-11-5-4-10-18(19)25-23(27)26-22(28)16-8-2-3-9-17(16)24/h2-13H,14-15H2,1H3,(H,25,26,28).
What are the key properties of 2-chloro-N-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]benzamide?
2-chloro-N-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]benzamide has a molecular weight of 421.88 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]benzamide is sourced from PubChem (CID 15991484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).