3-chloro-4-ethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide

C23H20ClN3O2 — CID 17297281

IUPAC3-chloro-4-ethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4[nH]3)cc2)cc1Cl
InChIInChI=1S/C23H20ClN3O2/c1-3-29-21-11-7-16(13-18(21)24)23(28)25-17-8-5-15(6-9-17)22-26-19-10-4-14(2)12-20(19)27-22/h4-13H,3H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyJOWXAYDATCQAJY-UHFFFAOYSA-N
MW405.89 g/mol
LogP5.84
Rot. Bonds5

About 3-chloro-4-ethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide

3-chloro-4-ethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide (PubChem CID 17297281) has the molecular formula C23H20ClN3O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
PubChem CID17297281
Molecular FormulaC23H20ClN3O2
Molecular Weight405.89 g/mol
Exact Mass405.12
IUPAC Name3-chloro-4-ethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4[nH]3)cc2)cc1Cl
InChIInChI=1S/C23H20ClN3O2/c1-3-29-21-11-7-16(13-18(21)24)23(28)25-17-8-5-15(6-9-17)22-26-19-10-4-14(2)12-20(19)27-22/h4-13H,3H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyJOWXAYDATCQAJY-UHFFFAOYSA-N
XLogP5.84
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.89
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 10166808
3-bromo-4-methoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
CID 17360789
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3-chloro-4-ethoxybenzamide
CID 1352608
3-chloro-N-[3-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]-4-ethoxybenzamide
CID 54858335
N-(4-bromophenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578973
N-(3,5-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578861
N-(3,4-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578851
3-chloro-N-(4-chlorophenyl)-4-ethoxybenzamide
CID 876518
ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 142812938
2-(2,5-dimethylphenoxy)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide
CID 5108771
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-2-chloro-4-methylbenzamide
CID 20695031
3-chloro-N-(3,5-dimethylphenyl)-4-ethoxybenzamide
CID 806791

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide?
The IUPAC name of 3-chloro-4-ethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide (CID 17297281) is 3-chloro-4-ethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide?
The canonical SMILES for 3-chloro-4-ethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4[nH]3)cc2)cc1Cl.
What is the InChIKey of 3-chloro-4-ethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide?
The InChIKey is JOWXAYDATCQAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2/c1-3-29-21-11-7-16(13-18(21)24)23(28)25-17-8-5-15(6-9-17)22-26-19-10-4-14(2)12-20(19)27-22/h4-13H,3H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 3-chloro-4-ethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide?
3-chloro-4-ethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide has a molecular weight of 405.89 g/mol, XLogP of 5.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 17297281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).