N-(4-bromo-3-methylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide

C19H21BrN4O2 — CID 42971048

IUPACN-(4-bromo-3-methylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
SMILESCc1cc(NC(=O)Cn2c(NCC(C)O)nc3ccccc32)ccc1Br
InChIInChI=1S/C19H21BrN4O2/c1-12-9-14(7-8-15(12)20)22-18(26)11-24-17-6-4-3-5-16(17)23-19(24)21-10-13(2)25/h3-9,13,25H,10-11H2,1-2H3,(H,21,23)(H,22,26)
InChIKeyRMRWKBPYHWBQFF-UHFFFAOYSA-N
MW417.31 g/mol
LogP3.54
Rot. Bonds6

About N-(4-bromo-3-methylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide

N-(4-bromo-3-methylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide (PubChem CID 42971048) has the molecular formula C19H21BrN4O2 and a molecular weight of 417.31 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
PubChem CID42971048
Molecular FormulaC19H21BrN4O2
Molecular Weight417.31 g/mol
Exact Mass416.08
IUPAC NameN-(4-bromo-3-methylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
SMILESCc1cc(NC(=O)Cn2c(NCC(C)O)nc3ccccc32)ccc1Br
InChIInChI=1S/C19H21BrN4O2/c1-12-9-14(7-8-15(12)20)22-18(26)11-24-17-6-4-3-5-16(17)23-19(24)21-10-13(2)25/h3-9,13,25H,10-11H2,1-2H3,(H,21,23)(H,22,26)
InChIKeyRMRWKBPYHWBQFF-UHFFFAOYSA-N
XLogP3.54
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.31
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 42971045
N-(3,4-difluorophenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 42904076
2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 7024444
2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 5187497
2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]-N-pentan-3-ylacetamide
CID 42971097
N-benzyl-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
CID 46796492
N-[(4-fluorophenyl)methyl]-2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]acetamide
CID 92852670
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 29242867
N-(4-bromo-3-methylphenyl)-2-indol-1-ylacetamide
CID 4058006
N-(4-bromo-3-methylphenyl)-2-indazol-1-ylacetamide
CID 20885240
N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17029087
2-[2-[[(2R)-2-hydroxypropyl]amino]benzimidazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 92852643

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide (CID 42971048) is N-(4-bromo-3-methylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide is Cc1cc(NC(=O)Cn2c(NCC(C)O)nc3ccccc32)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide?
The InChIKey is RMRWKBPYHWBQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN4O2/c1-12-9-14(7-8-15(12)20)22-18(26)11-24-17-6-4-3-5-16(17)23-19(24)21-10-13(2)25/h3-9,13,25H,10-11H2,1-2H3,(H,21,23)(H,22,26).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide?
N-(4-bromo-3-methylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide has a molecular weight of 417.31 g/mol, XLogP of 3.54, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 42971048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).