N-(6-bromo-1-ethylbenzimidazol-2-yl)-2-methylfuran-3-carboxamide

C15H14BrN3O2 — CID 75515211

IUPACN-(6-bromo-1-ethylbenzimidazol-2-yl)-2-methylfuran-3-carboxamide
SMILESCCn1c(NC(=O)c2ccoc2C)nc2ccc(Br)cc21
InChIInChI=1S/C15H14BrN3O2/c1-3-19-13-8-10(16)4-5-12(13)17-15(19)18-14(20)11-6-7-21-9(11)2/h4-8H,3H2,1-2H3,(H,17,18,20)
InChIKeyURGLPXOWPPNAJP-UHFFFAOYSA-N
MW348.20 g/mol
LogP3.97
Rot. Bonds3

About N-(6-bromo-1-ethylbenzimidazol-2-yl)-2-methylfuran-3-carboxamide

N-(6-bromo-1-ethylbenzimidazol-2-yl)-2-methylfuran-3-carboxamide (PubChem CID 75515211) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is N-(6-bromo-1-ethylbenzimidazol-2-yl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-1-ethylbenzimidazol-2-yl)-2-methylfuran-3-carboxamide
PubChem CID75515211
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC NameN-(6-bromo-1-ethylbenzimidazol-2-yl)-2-methylfuran-3-carboxamide
SMILESCCn1c(NC(=O)c2ccoc2C)nc2ccc(Br)cc21
InChIInChI=1S/C15H14BrN3O2/c1-3-19-13-8-10(16)4-5-12(13)17-15(19)18-14(20)11-6-7-21-9(11)2/h4-8H,3H2,1-2H3,(H,17,18,20)
InChIKeyURGLPXOWPPNAJP-UHFFFAOYSA-N
XLogP3.97
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(6-bromo-1-ethylbenzimidazol-2-yl)oxolane-3-carboxamide
CID 124516272
N'-(5-bromo-2-chlorobenzoyl)-2-methylfuran-3-carbohydrazide
CID 7809072
5-bromo-2-fluoro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 31510194
N-(1-ethylbenzimidazol-2-yl)-2-iodobenzamide
CID 27897993
(6-bromo-1-ethylbenzimidazol-2-yl)methanol
CID 67247825
2-(6-bromo-2-methylbenzimidazol-1-yl)acetic acid
CID 84808508
2-bromo-N-(4-bromo-2-ethylphenyl)furan-3-carboxamide
CID 106852304
5-chloro-N-(1-ethylbenzimidazol-2-yl)-2-methoxybenzamide
CID 27898030
N'-[2-(2,4-dibromophenoxy)acetyl]-2-methylfuran-3-carbohydrazide
CID 3931565
N-[(2S)-butan-2-yl]-2-methylfuran-3-carboxamide
CID 40584922
N-(3,3-dimethylbutan-2-yl)-2-methylfuran-3-carboxamide
CID 2970515
N-(5-chloro-1-ethylbenzimidazol-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 84594039

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1-ethylbenzimidazol-2-yl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(6-bromo-1-ethylbenzimidazol-2-yl)-2-methylfuran-3-carboxamide (CID 75515211) is N-(6-bromo-1-ethylbenzimidazol-2-yl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(6-bromo-1-ethylbenzimidazol-2-yl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(6-bromo-1-ethylbenzimidazol-2-yl)-2-methylfuran-3-carboxamide is CCn1c(NC(=O)c2ccoc2C)nc2ccc(Br)cc21.
What is the InChIKey of N-(6-bromo-1-ethylbenzimidazol-2-yl)-2-methylfuran-3-carboxamide?
The InChIKey is URGLPXOWPPNAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c1-3-19-13-8-10(16)4-5-12(13)17-15(19)18-14(20)11-6-7-21-9(11)2/h4-8H,3H2,1-2H3,(H,17,18,20).
What are the key properties of N-(6-bromo-1-ethylbenzimidazol-2-yl)-2-methylfuran-3-carboxamide?
N-(6-bromo-1-ethylbenzimidazol-2-yl)-2-methylfuran-3-carboxamide has a molecular weight of 348.20 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1-ethylbenzimidazol-2-yl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 75515211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).