N-[4-[5-[5-[5-[(2-bromophenyl)carbamoyl]furan-2-yl]-1-cyclopentylimidazol-4-yl]-2-fluorophenyl]-2-chlorophenyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide

C50H40BrClF2N6O4 — CID 154685911

IUPACN-[4-[5-[5-[5-[(2-bromophenyl)carbamoyl]furan-2-yl]-1-cyclopentylimidazol-4-yl]-2-fluorophenyl]-2-chlorophenyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2cc(-c3ncn(C4CCCC4)c3-c3ccc(C(=O)Nc4ccccc4Br)o3)ccc2F)cc1Cl)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1
InChIInChI=1S/C50H40BrClF2N6O4/c51-36-11-5-6-12-39(36)57-49(61)43-23-22-42(64-43)48-46(56-28-60(48)34-9-3-4-10-34)31-15-19-38(54)35(25-31)30-16-20-40(37(52)26-30)58-50(62)44-24-21-41(63-44)47-45(29-13-17-32(53)18-14-29)55-27-59(47)33-7-1-2-8-33/h5-6,11-28,33-34H,1-4,7-10H2,(H,57,61)(H,58,62)
InChIKeyNPZIKOVGMJGJSM-UHFFFAOYSA-N
MW942.26 g/mol
LogP14.03
Rot. Bonds11

About N-[4-[5-[5-[5-[(2-bromophenyl)carbamoyl]furan-2-yl]-1-cyclopentylimidazol-4-yl]-2-fluorophenyl]-2-chlorophenyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide

N-[4-[5-[5-[5-[(2-bromophenyl)carbamoyl]furan-2-yl]-1-cyclopentylimidazol-4-yl]-2-fluorophenyl]-2-chlorophenyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (PubChem CID 154685911) has the molecular formula C50H40BrClF2N6O4 and a molecular weight of 942.26 g/mol. Its IUPAC name is N-[4-[5-[5-[5-[(2-bromophenyl)carbamoyl]furan-2-yl]-1-cyclopentylimidazol-4-yl]-2-fluorophenyl]-2-chlorophenyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[5-[5-[5-[(2-bromophenyl)carbamoyl]furan-2-yl]-1-cyclopentylimidazol-4-yl]-2-fluorophenyl]-2-chlorophenyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
PubChem CID154685911
Molecular FormulaC50H40BrClF2N6O4
Molecular Weight942.26 g/mol
Exact Mass940.20
IUPAC NameN-[4-[5-[5-[5-[(2-bromophenyl)carbamoyl]furan-2-yl]-1-cyclopentylimidazol-4-yl]-2-fluorophenyl]-2-chlorophenyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(-c2cc(-c3ncn(C4CCCC4)c3-c3ccc(C(=O)Nc4ccccc4Br)o3)ccc2F)cc1Cl)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1
InChIInChI=1S/C50H40BrClF2N6O4/c51-36-11-5-6-12-39(36)57-49(61)43-23-22-42(64-43)48-46(56-28-60(48)34-9-3-4-10-34)31-15-19-38(54)35(25-31)30-16-20-40(37(52)26-30)58-50(62)44-24-21-41(63-44)47-45(29-13-17-32(53)18-14-29)55-27-59(47)33-7-1-2-8-33/h5-6,11-28,33-34H,1-4,7-10H2,(H,57,61)(H,58,62)
InChIKeyNPZIKOVGMJGJSM-UHFFFAOYSA-N
XLogP14.03
TPSA120.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500942.26
LogP ≤ 514.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[5-[5-[5-[(2-bromophenyl)carbamoyl]furan-2-yl]-1-cyclopentylimidazol-4-yl]-2-fluorophenyl]-2-chlorophenyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-(2-Chlorophenyl)-5-[1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]furan-2-carboxamide
CID 53036070
N-(4-Chlorophenyl)-5-[1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]furan-2-carboxamide
CID 53036071
N-(4-Chloro-2-methylphenyl)-5-[1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]furan-2-carboxamide
CID 53115207
N-(3-Chloro-4-methylphenyl)-5-[1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]furan-2-carboxamide
CID 53115221
N-(4-Chloro-2-fluorophenyl)-5-[1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]furan-2-carboxamide
CID 53115243
N-(4-Bromophenyl)-5-[1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]furan-2-carboxamide
CID 53115249
N-(2-Chlorophenyl)-5-[1-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]furan-2-carboxamide
CID 53115300
N-(4-Chlorophenyl)-5-[1-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]furan-2-carboxamide
CID 53115301
N-(3-Chloro-4-methylphenyl)-5-[1-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]furan-2-carboxamide
CID 53115318
N-(2-Chloro-4-methylphenyl)-5-[1-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]furan-2-carboxamide
CID 53115323
N-(2-Bromophenyl)-5-[1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]furan-2-carboxamide
CID 53115205
N-(4-Chloro-2-fluorophenyl)-5-[1-cyclohexyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]furan-2-carboxamide
CID 53115342

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[5-[5-[(2-bromophenyl)carbamoyl]furan-2-yl]-1-cyclopentylimidazol-4-yl]-2-fluorophenyl]-2-chlorophenyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-[4-[5-[5-[5-[(2-bromophenyl)carbamoyl]furan-2-yl]-1-cyclopentylimidazol-4-yl]-2-fluorophenyl]-2-chlorophenyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (CID 154685911) is N-[4-[5-[5-[5-[(2-bromophenyl)carbamoyl]furan-2-yl]-1-cyclopentylimidazol-4-yl]-2-fluorophenyl]-2-chlorophenyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[5-[5-[5-[(2-bromophenyl)carbamoyl]furan-2-yl]-1-cyclopentylimidazol-4-yl]-2-fluorophenyl]-2-chlorophenyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-[5-[5-[5-[(2-bromophenyl)carbamoyl]furan-2-yl]-1-cyclopentylimidazol-4-yl]-2-fluorophenyl]-2-chlorophenyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is O=C(Nc1ccc(-c2cc(-c3ncn(C4CCCC4)c3-c3ccc(C(=O)Nc4ccccc4Br)o3)ccc2F)cc1Cl)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1.
What is the InChIKey of N-[4-[5-[5-[5-[(2-bromophenyl)carbamoyl]furan-2-yl]-1-cyclopentylimidazol-4-yl]-2-fluorophenyl]-2-chlorophenyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The InChIKey is NPZIKOVGMJGJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40BrClF2N6O4/c51-36-11-5-6-12-39(36)57-49(61)43-23-22-42(64-43)48-46(56-28-60(48)34-9-3-4-10-34)31-15-19-38(54)35(25-31)30-16-20-40(37(52)26-30)58-50(62)44-24-21-41(63-44)47-45(29-13-17-32(53)18-14-29)55-27-59(47)33-7-1-2-8-33/h5-6,11-28,33-34H,1-4,7-10H2,(H,57,61)(H,58,62).
What are the key properties of N-[4-[5-[5-[5-[(2-bromophenyl)carbamoyl]furan-2-yl]-1-cyclopentylimidazol-4-yl]-2-fluorophenyl]-2-chlorophenyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
N-[4-[5-[5-[5-[(2-bromophenyl)carbamoyl]furan-2-yl]-1-cyclopentylimidazol-4-yl]-2-fluorophenyl]-2-chlorophenyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide has a molecular weight of 942.26 g/mol, XLogP of 14.03, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[5-[5-[(2-bromophenyl)carbamoyl]furan-2-yl]-1-cyclopentylimidazol-4-yl]-2-fluorophenyl]-2-chlorophenyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 154685911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).