N-[(4-chlorophenyl)methyl]-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide;N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide;N-(4-chlorophenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide;N-(4-chlorophenyl)-2-pyrrol-1-ylacetamide

C73H59Cl4N13O4 — CID 160226404

IUPACN-[(4-chlorophenyl)methyl]-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide;N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide;N-(4-chlorophenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide;N-(4-chlorophenyl)-2-pyrrol-1-ylacetamide
SMILESC1C=C(N=C1)C2=NC3=CC=CC=C3N2CC(=O)NCC4=CC=C(C=C4)Cl.C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2CC(=O)NC4=CC=C(C=C4)Cl.C1=CC=C2C(=C1)N=C(N2CC(=O)NC3=CC=C(C=C3)Cl)C4=CC=CC=N4.C1=CN(C=C1)CC(=O)NC2=CC=C(C=C2)Cl
InChIInChI=1S/C21H16ClN3O.C20H15ClN4O.C20H17ClN4O.C12H11ClN2O/c22-16-10-12-17(13-11-16)23-20(26)14-25-19-9-5-4-8-18(19)24-21(25)15-6-2-1-3-7-15;21-14-8-10-15(11-9-14)23-19(26)13-25-18-7-2-1-5-16(18)24-20(25)17-6-3-4-12-22-17;21-15-9-7-14(8-10-15)12-23-19(26)13-25-18-6-2-1-4-16(18)24-20(25)17-5-3-11-22-17;13-10-3-5-11(6-4-10)14-12(16)9-15-7-1-2-8-15/h1-13H,14H2,(H,23,26);1-12H,13H2,(H,23,26);1-2,4-11H,3,12-13H2,(H,23,26);1-8H,9H2,(H,14,16)
InChIKeyPJVRUVFIWTVXCP-UHFFFAOYSA-N
MW1324.10 g/mol
LogP—
Rot. Bonds16

About N-[(4-chlorophenyl)methyl]-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide;N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide;N-(4-chlorophenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide;N-(4-chlorophenyl)-2-pyrrol-1-ylacetamide

N-[(4-chlorophenyl)methyl]-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide;N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide;N-(4-chlorophenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide;N-(4-chlorophenyl)-2-pyrrol-1-ylacetamide (PubChem CID 160226404) has the molecular formula C73H59Cl4N13O4 and a molecular weight of 1324.10 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide;N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide;N-(4-chlorophenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide;N-(4-chlorophenyl)-2-pyrrol-1-ylacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide;N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide;N-(4-chlorophenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide;N-(4-chlorophenyl)-2-pyrrol-1-ylacetamide
PubChem CID160226404
Molecular FormulaC73H59Cl4N13O4
Molecular Weight1324.10 g/mol
Exact Mass1323.35
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide;N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide;N-(4-chlorophenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide;N-(4-chlorophenyl)-2-pyrrol-1-ylacetamide
SMILESC1C=C(N=C1)C2=NC3=CC=CC=C3N2CC(=O)NCC4=CC=C(C=C4)Cl.C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2CC(=O)NC4=CC=C(C=C4)Cl.C1=CC=C2C(=C1)N=C(N2CC(=O)NC3=CC=C(C=C3)Cl)C4=CC=CC=N4.C1=CN(C=C1)CC(=O)NC2=CC=C(C=C2)Cl
InChIInChI=1S/C21H16ClN3O.C20H15ClN4O.C20H17ClN4O.C12H11ClN2O/c22-16-10-12-17(13-11-16)23-20(26)14-25-19-9-5-4-8-18(19)24-21(25)15-6-2-1-3-7-15;21-14-8-10-15(11-9-14)23-19(26)13-25-18-7-2-1-5-16(18)24-20(25)17-6-3-4-12-22-17;21-15-9-7-14(8-10-15)12-23-19(26)13-25-18-6-2-1-4-16(18)24-20(25)17-5-3-11-22-17;13-10-3-5-11(6-4-10)14-12(16)9-15-7-1-2-8-15/h1-13H,14H2,(H,23,26);1-12H,13H2,(H,23,26);1-2,4-11H,3,12-13H2,(H,23,26);1-8H,9H2,(H,14,16)
InChIKeyPJVRUVFIWTVXCP-UHFFFAOYSA-N
XLogP—
TPSA200.00 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms94
Complexity1760

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001324.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-[(4-chlorophenyl)methyl]-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide;N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide;N-(4-chlorophenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide;N-(4-chlorophenyl)-2-pyrrol-1-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide;N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide;N-(4-chlorophenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide;N-(4-chlorophenyl)-2-pyrrol-1-ylacetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide;N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide;N-(4-chlorophenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide;N-(4-chlorophenyl)-2-pyrrol-1-ylacetamide (CID 160226404) is N-[(4-chlorophenyl)methyl]-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide;N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide;N-(4-chlorophenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide;N-(4-chlorophenyl)-2-pyrrol-1-ylacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide;N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide;N-(4-chlorophenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide;N-(4-chlorophenyl)-2-pyrrol-1-ylacetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide;N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide;N-(4-chlorophenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide;N-(4-chlorophenyl)-2-pyrrol-1-ylacetamide is C1C=C(N=C1)C2=NC3=CC=CC=C3N2CC(=O)NCC4=CC=C(C=C4)Cl.C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2CC(=O)NC4=CC=C(C=C4)Cl.C1=CC=C2C(=C1)N=C(N2CC(=O)NC3=CC=C(C=C3)Cl)C4=CC=CC=N4.C1=CN(C=C1)CC(=O)NC2=CC=C(C=C2)Cl.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide;N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide;N-(4-chlorophenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide;N-(4-chlorophenyl)-2-pyrrol-1-ylacetamide?
The InChIKey is PJVRUVFIWTVXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O.C20H15ClN4O.C20H17ClN4O.C12H11ClN2O/c22-16-10-12-17(13-11-16)23-20(26)14-25-19-9-5-4-8-18(19)24-21(25)15-6-2-1-3-7-15;21-14-8-10-15(11-9-14)23-19(26)13-25-18-7-2-1-5-16(18)24-20(25)17-6-3-4-12-22-17;21-15-9-7-14(8-10-15)12-23-19(26)13-25-18-6-2-1-4-16(18)24-20(25)17-5-3-11-22-17;13-10-3-5-11(6-4-10)14-12(16)9-15-7-1-2-8-15/h1-13H,14H2,(H,23,26);1-12H,13H2,(H,23,26);1-2,4-11H,3,12-13H2,(H,23,26);1-8H,9H2,(H,14,16).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide;N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide;N-(4-chlorophenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide;N-(4-chlorophenyl)-2-pyrrol-1-ylacetamide?
N-[(4-chlorophenyl)methyl]-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide;N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide;N-(4-chlorophenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide;N-(4-chlorophenyl)-2-pyrrol-1-ylacetamide has a molecular weight of 1324.10 g/mol, XLogP of not available, 16 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[2-(3H-pyrrol-5-yl)benzimidazol-1-yl]acetamide;N-(4-chlorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide;N-(4-chlorophenyl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide;N-(4-chlorophenyl)-2-pyrrol-1-ylacetamide is sourced from PubChem (CID 160226404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).