6-(4-bromo-2-methylanilino)-N-cyclopropyl-7-fluoro-N-methoxy-3H-benzimidazole-5-carboxamide

C19H18BrFN4O2 — CID 174480602

IUPAC6-(4-bromo-2-methylanilino)-N-cyclopropyl-7-fluoro-N-methoxy-3H-benzimidazole-5-carboxamide
SMILESCON(C(=O)c1cc2[nH]cnc2c(F)c1Nc1ccc(Br)cc1C)C1CC1
InChIInChI=1S/C19H18BrFN4O2/c1-10-7-11(20)3-6-14(10)24-17-13(19(26)25(27-2)12-4-5-12)8-15-18(16(17)21)23-9-22-15/h3,6-9,12,24H,4-5H2,1-2H3,(H,22,23)
InChIKeySMWCRYMVGXKMQW-UHFFFAOYSA-N
MW433.28 g/mol
LogP4.68
Rot. Bonds5

About 6-(4-bromo-2-methylanilino)-N-cyclopropyl-7-fluoro-N-methoxy-3H-benzimidazole-5-carboxamide

6-(4-bromo-2-methylanilino)-N-cyclopropyl-7-fluoro-N-methoxy-3H-benzimidazole-5-carboxamide (PubChem CID 174480602) has the molecular formula C19H18BrFN4O2 and a molecular weight of 433.28 g/mol. Its IUPAC name is 6-(4-bromo-2-methylanilino)-N-cyclopropyl-7-fluoro-N-methoxy-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name6-(4-bromo-2-methylanilino)-N-cyclopropyl-7-fluoro-N-methoxy-3H-benzimidazole-5-carboxamide
PubChem CID174480602
Molecular FormulaC19H18BrFN4O2
Molecular Weight433.28 g/mol
Exact Mass432.06
IUPAC Name6-(4-bromo-2-methylanilino)-N-cyclopropyl-7-fluoro-N-methoxy-3H-benzimidazole-5-carboxamide
SMILESCON(C(=O)c1cc2[nH]cnc2c(F)c1Nc1ccc(Br)cc1C)C1CC1
InChIInChI=1S/C19H18BrFN4O2/c1-10-7-11(20)3-6-14(10)24-17-13(19(26)25(27-2)12-4-5-12)8-15-18(16(17)21)23-9-22-15/h3,6-9,12,24H,4-5H2,1-2H3,(H,22,23)
InChIKeySMWCRYMVGXKMQW-UHFFFAOYSA-N
XLogP4.68
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.28
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-(4-bromo-2-methylanilino)-N-cyclopropyl-7-fluoro-N-methoxy-3H-benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-aminopyrrolidin-1-yl)-[6-(4-bromo-2-methylanilino)-7-fluoro-3H-benzimidazol-5-yl]methanone
CID 58890637
6-(4-bromo-2-fluoroanilino)-7-fluoro-3H-benzimidazole-5-carboxylic acid
CID 21114208
methyl 7-fluoro-6-(4-methylanilino)-3H-benzimidazole-5-carboxylate
CID 142807797
methyl 6-(4-bromo-2-chloroanilino)-7-chloro-3H-benzimidazole-5-carboxylate
CID 68817775
6-(4-bromo-2-methylanilino)-N-(cyclopropylmethoxy)-7-fluoro-N-methyl-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 130240953
2-[6-(4-bromo-2-chloroanilino)-7-fluoro-3H-benzimidazol-5-yl]ethanol
CID 141078277
methyl 6-(4-bromo-2-methylanilino)-7-fluoro-3-(2-methylsulfinylethyl)benzimidazole-5-carboxylate
CID 129042125
2-[6-(4-bromo-2-chloroanilino)-7-fluoro-3H-benzimidazol-5-yl]-2-methylsulfonylethanol
CID 68817961
6-(4-bromo-2-methylanilino)-3-(2-cyanoethyl)-N-(cyclopropylmethoxy)-7-fluorobenzimidazole-5-carboxamide
CID 87688562
6-(4-bromo-2-methylanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-[4-(3-methylmorpholin-4-yl)butyl]benzimidazole-5-carboxamide
CID 130241045
6-(4-bromo-2-methylanilino)-N-(cyclopropylmethoxy)-7-fluoro-3-pent-4-enylbenzimidazole-5-carboxamide
CID 58890614
2-(4-bromo-2-methylanilino)-N-cyclobutyloxy-3,4-difluorobenzamide;2-(4-bromo-2-methylanilino)-3,4-difluoro-N-propan-2-yloxybenzamide
CID 160739213

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-methylanilino)-N-cyclopropyl-7-fluoro-N-methoxy-3H-benzimidazole-5-carboxamide?
The IUPAC name of 6-(4-bromo-2-methylanilino)-N-cyclopropyl-7-fluoro-N-methoxy-3H-benzimidazole-5-carboxamide (CID 174480602) is 6-(4-bromo-2-methylanilino)-N-cyclopropyl-7-fluoro-N-methoxy-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 6-(4-bromo-2-methylanilino)-N-cyclopropyl-7-fluoro-N-methoxy-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 6-(4-bromo-2-methylanilino)-N-cyclopropyl-7-fluoro-N-methoxy-3H-benzimidazole-5-carboxamide is CON(C(=O)c1cc2[nH]cnc2c(F)c1Nc1ccc(Br)cc1C)C1CC1.
What is the InChIKey of 6-(4-bromo-2-methylanilino)-N-cyclopropyl-7-fluoro-N-methoxy-3H-benzimidazole-5-carboxamide?
The InChIKey is SMWCRYMVGXKMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrFN4O2/c1-10-7-11(20)3-6-14(10)24-17-13(19(26)25(27-2)12-4-5-12)8-15-18(16(17)21)23-9-22-15/h3,6-9,12,24H,4-5H2,1-2H3,(H,22,23).
What are the key properties of 6-(4-bromo-2-methylanilino)-N-cyclopropyl-7-fluoro-N-methoxy-3H-benzimidazole-5-carboxamide?
6-(4-bromo-2-methylanilino)-N-cyclopropyl-7-fluoro-N-methoxy-3H-benzimidazole-5-carboxamide has a molecular weight of 433.28 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-methylanilino)-N-cyclopropyl-7-fluoro-N-methoxy-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 174480602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).