1-[2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]propan-1-one;(E)-1-[2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-en-1-one;4-[2-[1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile

C122H104Cl6N30O4 — CID 157499067

About 1-[2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]propan-1-one;(E)-1-[2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-en-1-one;4-[2-[1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile

1-[2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]propan-1-one;(E)-1-[2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-en-1-one;4-[2-[1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile (PubChem CID 157499067) has the molecular formula C122H104Cl6N30O4 and a molecular weight of 2267.10 g/mol. Its IUPAC name is 1-[2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]propan-1-one;(E)-1-[2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-en-1-one;4-[2-[1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile.

Molecular Properties

• Compound Name: 1-[2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]propan-1-one;(E)-1-[2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-en-1-one;4-[2-[1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile
• PubChem CID: 157499067
• Molecular Formula: C122H104Cl6N30O4
• Molecular Weight: 2267.10 g/mol
• Exact Mass: 2262.70
• IUPAC Name: 1-[2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]propan-1-one;(E)-1-[2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-en-1-one;4-[2-[1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile
• SMILES: N#Cc1ccc(-c2cnc(C3C(c4ccccc4)CCCN3C(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)[nH]2)cc1.N#Cc1ccc(-c2cnc(C3C(c4ccccc4)CCCN3C(=O)CCc3cc(Cl)ccc3-n3cnnn3)[nH]2)cc1.O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N1CCCC(c2ccccc2)C1c1ncc(-c2ccc(Cl)cc2)[nH]1.O=C(CCc1cc(Cl)ccc1-n1cnnn1)N1CCCC(c2ccccc2)C1c1ncc(-c2ccc(Cl)cc2)[nH]1
• InChI: InChI=1S/C31H27ClN8O.C31H25ClN8O.C30H27Cl2N7O.C30H25Cl2N7O/c2*32-25-13-14-28(40-20-35-37-38-40)24(17-25)12-15-29(41)39-16-4-7-26(22-5-2-1-3-6-22)30(39)31-34-19-27(36-31)23-10-8-21(18-33)9-11-23;2*31-23-11-8-21(9-12-23)26-18-33-30(35-26)29-25(20-5-2-1-3-6-20)7-4-16-38(29)28(40)15-10-22-17-24(32)13-14-27(22)39-19-34-36-37-39/h1-3,5-6,8-11,13-14,17,19-20,26,30H,4,7,12,15-16H2,(H,34,36);1-3,5-6,8-15,17,19-20,26,30H,4,7,16H2,(H,34,36);1-3,5-6,8-9,11-14,17-19,25,29H,4,7,10,15-16H2,(H,33,35);1-3,5-6,8-15,17-19,25,29H,4,7,16H2,(H,33,35)/b;15-12+;;15-10+
• InChIKey: BYENDVVXXIGDFO-KXJJVIAGSA-N
• XLogP: 24.35
• TPSA: 417.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2267.10
LogP ≤ 5	24.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]propan-1-one;(E)-1-[2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-en-1-one;4-[2-[1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile?

The IUPAC name of 1-[2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]propan-1-one;(E)-1-[2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-en-1-one;4-[2-[1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile (CID 157499067) is 1-[2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]propan-1-one;(E)-1-[2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-en-1-one;4-[2-[1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile.

What is the SMILES notation for 1-[2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]propan-1-one;(E)-1-[2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-en-1-one;4-[2-[1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile?

The canonical SMILES for 1-[2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]propan-1-one;(E)-1-[2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-en-1-one;4-[2-[1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile is N#Cc1ccc(-c2cnc(C3C(c4ccccc4)CCCN3C(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)[nH]2)cc1.N#Cc1ccc(-c2cnc(C3C(c4ccccc4)CCCN3C(=O)CCc3cc(Cl)ccc3-n3cnnn3)[nH]2)cc1.O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N1CCCC(c2ccccc2)C1c1ncc(-c2ccc(Cl)cc2)[nH]1.O=C(CCc1cc(Cl)ccc1-n1cnnn1)N1CCCC(c2ccccc2)C1c1ncc(-c2ccc(Cl)cc2)[nH]1.

What is the InChIKey of 1-[2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]propan-1-one;(E)-1-[2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-en-1-one;4-[2-[1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile?

The InChIKey is BYENDVVXXIGDFO-KXJJVIAGSA-N. The full InChI is InChI=1S/C31H27ClN8O.C31H25ClN8O.C30H27Cl2N7O.C30H25Cl2N7O/c2*32-25-13-14-28(40-20-35-37-38-40)24(17-25)12-15-29(41)39-16-4-7-26(22-5-2-1-3-6-22)30(39)31-34-19-27(36-31)23-10-8-21(18-33)9-11-23;2*31-23-11-8-21(9-12-23)26-18-33-30(35-26)29-25(20-5-2-1-3-6-20)7-4-16-38(29)28(40)15-10-22-17-24(32)13-14-27(22)39-19-34-36-37-39/h1-3,5-6,8-11,13-14,17,19-20,26,30H,4,7,12,15-16H2,(H,34,36);1-3,5-6,8-15,17,19-20,26,30H,4,7,16H2,(H,34,36);1-3,5-6,8-9,11-14,17-19,25,29H,4,7,10,15-16H2,(H,33,35);1-3,5-6,8-15,17-19,25,29H,4,7,16H2,(H,33,35)/b;15-12+;;15-10+.

What are the key properties of 1-[2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]propan-1-one;(E)-1-[2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-en-1-one;4-[2-[1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile?

1-[2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]propan-1-one;(E)-1-[2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-en-1-one;4-[2-[1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile has a molecular weight of 2267.10 g/mol, XLogP of 24.35, 26 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]propan-1-one;(E)-1-[2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-3-phenylpiperidin-1-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-en-1-one;4-[2-[1-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile;4-[2-[1-[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenylpiperidin-2-yl]-1H-imidazol-5-yl]benzonitrile is sourced from PubChem (CID 157499067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).