N-[1-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-N-(5-chloro-1-benzofuran-2-yl)formamide

C26H20BrClN4O2 — CID 57028790

IUPACN-[1-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-N-(5-chloro-1-benzofuran-2-yl)formamide
SMILESCn1c(-c2ccc(Br)cc2)cnc1C(Cc1ccccn1)N(C=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C26H20BrClN4O2/c1-31-23(17-5-7-19(27)8-6-17)15-30-26(31)22(14-21-4-2-3-11-29-21)32(16-33)25-13-18-12-20(28)9-10-24(18)34-25/h2-13,15-16,22H,14H2,1H3
InChIKeyCULRGXIJZRBQIM-UHFFFAOYSA-N
MW535.83 g/mol
LogP6.59
Rot. Bonds7

About N-[1-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-N-(5-chloro-1-benzofuran-2-yl)formamide

N-[1-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-N-(5-chloro-1-benzofuran-2-yl)formamide (PubChem CID 57028790) has the molecular formula C26H20BrClN4O2 and a molecular weight of 535.83 g/mol. Its IUPAC name is N-[1-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-N-(5-chloro-1-benzofuran-2-yl)formamide.

Molecular Properties

Compound NameN-[1-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-N-(5-chloro-1-benzofuran-2-yl)formamide
PubChem CID57028790
Molecular FormulaC26H20BrClN4O2
Molecular Weight535.83 g/mol
Exact Mass534.05
IUPAC NameN-[1-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-N-(5-chloro-1-benzofuran-2-yl)formamide
SMILESCn1c(-c2ccc(Br)cc2)cnc1C(Cc1ccccn1)N(C=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C26H20BrClN4O2/c1-31-23(17-5-7-19(27)8-6-17)15-30-26(31)22(14-21-4-2-3-11-29-21)32(16-33)25-13-18-12-20(28)9-10-24(18)34-25/h2-13,15-16,22H,14H2,1H3
InChIKeyCULRGXIJZRBQIM-UHFFFAOYSA-N
XLogP6.59
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.83
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-N-(5-chloro-1-benzofuran-2-yl)formamide?
The IUPAC name of N-[1-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-N-(5-chloro-1-benzofuran-2-yl)formamide (CID 57028790) is N-[1-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-N-(5-chloro-1-benzofuran-2-yl)formamide.
What is the SMILES notation for N-[1-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-N-(5-chloro-1-benzofuran-2-yl)formamide?
The canonical SMILES for N-[1-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-N-(5-chloro-1-benzofuran-2-yl)formamide is Cn1c(-c2ccc(Br)cc2)cnc1C(Cc1ccccn1)N(C=O)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of N-[1-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-N-(5-chloro-1-benzofuran-2-yl)formamide?
The InChIKey is CULRGXIJZRBQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20BrClN4O2/c1-31-23(17-5-7-19(27)8-6-17)15-30-26(31)22(14-21-4-2-3-11-29-21)32(16-33)25-13-18-12-20(28)9-10-24(18)34-25/h2-13,15-16,22H,14H2,1H3.
What are the key properties of N-[1-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-N-(5-chloro-1-benzofuran-2-yl)formamide?
N-[1-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-N-(5-chloro-1-benzofuran-2-yl)formamide has a molecular weight of 535.83 g/mol, XLogP of 6.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-bromophenyl)-1-methylimidazol-2-yl]-2-pyridin-2-ylethyl]-N-(5-chloro-1-benzofuran-2-yl)formamide is sourced from PubChem (CID 57028790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).