N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide

C28H22ClN3O3 — CID 4227842

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C28H22ClN3O3/c1-34-26-16-20(11-14-25(26)35-17-18-9-12-21(29)13-10-18)28(33)30-22-6-4-5-19(15-22)27-31-23-7-2-3-8-24(23)32-27/h2-16H,17H2,1H3,(H,30,33)(H,31,32)
InChIKeyAHRFMRZZPNJWEX-UHFFFAOYSA-N
MW483.96 g/mol
LogP6.72
Rot. Bonds7

About N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide

N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide (PubChem CID 4227842) has the molecular formula C28H22ClN3O3 and a molecular weight of 483.96 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
PubChem CID4227842
Molecular FormulaC28H22ClN3O3
Molecular Weight483.96 g/mol
Exact Mass483.13
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C28H22ClN3O3/c1-34-26-16-20(11-14-25(26)35-17-18-9-12-21(29)13-10-18)28(33)30-22-6-4-5-19(15-22)27-31-23-7-2-3-8-24(23)32-27/h2-16H,17H2,1H3,(H,30,33)(H,31,32)
InChIKeyAHRFMRZZPNJWEX-UHFFFAOYSA-N
XLogP6.72
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.96
LogP ≤ 56.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide
CID 1104078
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
CID 2810335
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methoxyphenyl)benzamide
CID 4614010
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 55380856
N-[3-(1H-benzimidazol-2-yl)phenyl]-2,4,5-trimethoxybenzamide
CID 51109807
4-(1H-benzimidazol-2-yl)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 100578045
4-(1H-benzimidazol-2-yl)-N-(5-chloro-2-methoxyphenyl)benzamide
CID 100578035
3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide
CID 44523579
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-pyridin-2-ylbenzamide
CID 43016736
N-(4-acetylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 2282296
4-[(4-chlorophenyl)methoxy]-3-methoxy-N'-phenylbenzohydrazide
CID 78774841
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide
CID 969400

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide (CID 4227842) is N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide is COc1cc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide?
The InChIKey is AHRFMRZZPNJWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClN3O3/c1-34-26-16-20(11-14-25(26)35-17-18-9-12-21(29)13-10-18)28(33)30-22-6-4-5-19(15-22)27-31-23-7-2-3-8-24(23)32-27/h2-16H,17H2,1H3,(H,30,33)(H,31,32).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide?
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide has a molecular weight of 483.96 g/mol, XLogP of 6.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide is sourced from PubChem (CID 4227842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).