5-bromo-N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-2-carboxamide

C15H12BrClN4O3 — CID 52793296

IUPAC5-bromo-N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESCn1c(NC(=O)CNC(=O)c2ccc(Br)o2)nc2cc(Cl)ccc21
InChIInChI=1S/C15H12BrClN4O3/c1-21-10-3-2-8(17)6-9(10)19-15(21)20-13(22)7-18-14(23)11-4-5-12(16)24-11/h2-6H,7H2,1H3,(H,18,23)(H,19,20,22)
InChIKeyNANDPUPQPKMJPL-UHFFFAOYSA-N
MW411.64 g/mol
LogP2.95
Rot. Bonds4

About 5-bromo-N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 52793296) has the molecular formula C15H12BrClN4O3 and a molecular weight of 411.64 g/mol. Its IUPAC name is 5-bromo-N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID52793296
Molecular FormulaC15H12BrClN4O3
Molecular Weight411.64 g/mol
Exact Mass409.98
IUPAC Name5-bromo-N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESCn1c(NC(=O)CNC(=O)c2ccc(Br)o2)nc2cc(Cl)ccc21
InChIInChI=1S/C15H12BrClN4O3/c1-21-10-3-2-8(17)6-9(10)19-15(21)20-13(22)7-18-14(23)11-4-5-12(16)24-11/h2-6H,7H2,1H3,(H,18,23)(H,19,20,22)
InChIKeyNANDPUPQPKMJPL-UHFFFAOYSA-N
XLogP2.95
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.64
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-2-carboxamide (CID 52793296) is 5-bromo-N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-2-carboxamide is Cn1c(NC(=O)CNC(=O)c2ccc(Br)o2)nc2cc(Cl)ccc21.
What is the InChIKey of 5-bromo-N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is NANDPUPQPKMJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN4O3/c1-21-10-3-2-8(17)6-9(10)19-15(21)20-13(22)7-18-14(23)11-4-5-12(16)24-11/h2-6H,7H2,1H3,(H,18,23)(H,19,20,22).
What are the key properties of 5-bromo-N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 411.64 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[(5-chloro-1-methylbenzimidazol-2-yl)amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 52793296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).