N-(5-bromo-6-methyl-1H-benzimidazol-2-yl)-5-(triazol-1-ylmethyl)furan-2-carboxamide

C16H13BrN6O2 — CID 166394655

IUPACN-(5-bromo-6-methyl-1H-benzimidazol-2-yl)-5-(triazol-1-ylmethyl)furan-2-carboxamide
SMILESCc1cc2[nH]c(NC(=O)c3ccc(Cn4ccnn4)o3)nc2cc1Br
InChIInChI=1S/C16H13BrN6O2/c1-9-6-12-13(7-11(9)17)20-16(19-12)21-15(24)14-3-2-10(25-14)8-23-5-4-18-22-23/h2-7H,8H2,1H3,(H2,19,20,21,24)
InChIKeyPHZRXDLSEKVDFU-UHFFFAOYSA-N
MW401.22 g/mol
LogP3.12
Rot. Bonds4

About N-(5-bromo-6-methyl-1H-benzimidazol-2-yl)-5-(triazol-1-ylmethyl)furan-2-carboxamide

N-(5-bromo-6-methyl-1H-benzimidazol-2-yl)-5-(triazol-1-ylmethyl)furan-2-carboxamide (PubChem CID 166394655) has the molecular formula C16H13BrN6O2 and a molecular weight of 401.22 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-1H-benzimidazol-2-yl)-5-(triazol-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-1H-benzimidazol-2-yl)-5-(triazol-1-ylmethyl)furan-2-carboxamide
PubChem CID166394655
Molecular FormulaC16H13BrN6O2
Molecular Weight401.22 g/mol
Exact Mass400.03
IUPAC NameN-(5-bromo-6-methyl-1H-benzimidazol-2-yl)-5-(triazol-1-ylmethyl)furan-2-carboxamide
SMILESCc1cc2[nH]c(NC(=O)c3ccc(Cn4ccnn4)o3)nc2cc1Br
InChIInChI=1S/C16H13BrN6O2/c1-9-6-12-13(7-11(9)17)20-16(19-12)21-15(24)14-3-2-10(25-14)8-23-5-4-18-22-23/h2-7H,8H2,1H3,(H2,19,20,21,24)
InChIKeyPHZRXDLSEKVDFU-UHFFFAOYSA-N
XLogP3.12
TPSA101.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.22
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-bromopyrazol-1-yl)methyl]-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide
CID 35334176
N-(1H-benzimidazol-2-yl)-3-(triazol-1-yl)propanamide
CID 60725316
N-(5-chloro-2-methylphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463007
N-(5,5-dimethyl-1-prop-2-enoylpiperidin-3-yl)-5-(triazol-1-ylmethyl)furan-2-carboxamide
CID 154873672
4-amino-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-methylbenzamide
CID 162594450
N-[7,7-dimethyl-6-oxo-5-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-pyrrolo[2,3-f]benzimidazol-2-yl]-2-methylbenzamide
CID 59300767
N-[4-(2-methylimidazol-1-yl)phenyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 35532104
N-(2-methyl-4-nitrophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415957
N-(1,5-dimethylpyrazol-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19399657
[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamic acid
CID 88730884
N-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 60756494
N-(2-bromo-4,6-difluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 4694399

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-1H-benzimidazol-2-yl)-5-(triazol-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-(5-bromo-6-methyl-1H-benzimidazol-2-yl)-5-(triazol-1-ylmethyl)furan-2-carboxamide (CID 166394655) is N-(5-bromo-6-methyl-1H-benzimidazol-2-yl)-5-(triazol-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-(5-bromo-6-methyl-1H-benzimidazol-2-yl)-5-(triazol-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-(5-bromo-6-methyl-1H-benzimidazol-2-yl)-5-(triazol-1-ylmethyl)furan-2-carboxamide is Cc1cc2[nH]c(NC(=O)c3ccc(Cn4ccnn4)o3)nc2cc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-1H-benzimidazol-2-yl)-5-(triazol-1-ylmethyl)furan-2-carboxamide?
The InChIKey is PHZRXDLSEKVDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN6O2/c1-9-6-12-13(7-11(9)17)20-16(19-12)21-15(24)14-3-2-10(25-14)8-23-5-4-18-22-23/h2-7H,8H2,1H3,(H2,19,20,21,24).
What are the key properties of N-(5-bromo-6-methyl-1H-benzimidazol-2-yl)-5-(triazol-1-ylmethyl)furan-2-carboxamide?
N-(5-bromo-6-methyl-1H-benzimidazol-2-yl)-5-(triazol-1-ylmethyl)furan-2-carboxamide has a molecular weight of 401.22 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-1H-benzimidazol-2-yl)-5-(triazol-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 166394655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).