5-bromo-N-[4-(1-methylbenzimidazol-2-yl)phenyl]furan-2-carboxamide

C19H14BrN3O2 — CID 51135396

IUPAC5-bromo-N-[4-(1-methylbenzimidazol-2-yl)phenyl]furan-2-carboxamide
SMILESCn1c(-c2ccc(NC(=O)c3ccc(Br)o3)cc2)nc2ccccc21
InChIInChI=1S/C19H14BrN3O2/c1-23-15-5-3-2-4-14(15)22-18(23)12-6-8-13(9-7-12)21-19(24)16-10-11-17(20)25-16/h2-11H,1H3,(H,21,24)
InChIKeyISRUAXHXAJHTLQ-UHFFFAOYSA-N
MW396.24 g/mol
LogP4.85
Rot. Bonds3

About 5-bromo-N-[4-(1-methylbenzimidazol-2-yl)phenyl]furan-2-carboxamide

5-bromo-N-[4-(1-methylbenzimidazol-2-yl)phenyl]furan-2-carboxamide (PubChem CID 51135396) has the molecular formula C19H14BrN3O2 and a molecular weight of 396.24 g/mol. Its IUPAC name is 5-bromo-N-[4-(1-methylbenzimidazol-2-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(1-methylbenzimidazol-2-yl)phenyl]furan-2-carboxamide
PubChem CID51135396
Molecular FormulaC19H14BrN3O2
Molecular Weight396.24 g/mol
Exact Mass395.03
IUPAC Name5-bromo-N-[4-(1-methylbenzimidazol-2-yl)phenyl]furan-2-carboxamide
SMILESCn1c(-c2ccc(NC(=O)c3ccc(Br)o3)cc2)nc2ccccc21
InChIInChI=1S/C19H14BrN3O2/c1-23-15-5-3-2-4-14(15)22-18(23)12-6-8-13(9-7-12)21-19(24)16-10-11-17(20)25-16/h2-11H,1H3,(H,21,24)
InChIKeyISRUAXHXAJHTLQ-UHFFFAOYSA-N
XLogP4.85
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.24
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(4-phenylphenyl)furan-2-carboxamide
CID 6624475
2-(cyclopropylmethylamino)-N-[4-(1-methylbenzimidazol-2-yl)phenyl]acetamide
CID 119822806
5-bromo-N-[4-(2-methyl-1,3-oxazol-4-yl)phenyl]furan-2-carboxamide
CID 60729952
5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide
CID 973213
[2-methyl-1-[4-(1-methylbenzimidazol-2-yl)anilino]-1-oxopropan-2-yl] acetate
CID 99788360
5-bromo-N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]furan-2-carboxamide
CID 1333568
5-bromo-N-(4-phenyldiazenylphenyl)furan-2-carboxamide
CID 3406026
2-amino-3-methyl-N-[4-(1-methylbenzimidazol-2-yl)phenyl]pentanamide;hydrochloride
CID 119822813
N-[4-(1-methylbenzimidazol-2-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119822821
5-bromo-N-[4-(1H-indol-2-yl)phenyl]furan-2-carboxamide
CID 46334471
N-[4-(1-methylbenzimidazol-2-yl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 126772083
5-bromo-N-[4-(6-bromo-4-phenylquinolin-2-yl)phenyl]furan-2-carboxamide
CID 3098585

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(1-methylbenzimidazol-2-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(1-methylbenzimidazol-2-yl)phenyl]furan-2-carboxamide (CID 51135396) is 5-bromo-N-[4-(1-methylbenzimidazol-2-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(1-methylbenzimidazol-2-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(1-methylbenzimidazol-2-yl)phenyl]furan-2-carboxamide is Cn1c(-c2ccc(NC(=O)c3ccc(Br)o3)cc2)nc2ccccc21.
What is the InChIKey of 5-bromo-N-[4-(1-methylbenzimidazol-2-yl)phenyl]furan-2-carboxamide?
The InChIKey is ISRUAXHXAJHTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3O2/c1-23-15-5-3-2-4-14(15)22-18(23)12-6-8-13(9-7-12)21-19(24)16-10-11-17(20)25-16/h2-11H,1H3,(H,21,24).
What are the key properties of 5-bromo-N-[4-(1-methylbenzimidazol-2-yl)phenyl]furan-2-carboxamide?
5-bromo-N-[4-(1-methylbenzimidazol-2-yl)phenyl]furan-2-carboxamide has a molecular weight of 396.24 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(1-methylbenzimidazol-2-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 51135396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).