2-(4-bromophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide

C21H23BrN4O2 — CID 39855257

IUPAC2-(4-bromophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1nc2ccccc2n1CCN1CCOCC1
InChIInChI=1S/C21H23BrN4O2/c22-17-7-5-16(6-8-17)15-20(27)24-21-23-18-3-1-2-4-19(18)26(21)10-9-25-11-13-28-14-12-25/h1-8H,9-15H2,(H,23,24,27)
InChIKeyZNJIZPGMDQDDSS-UHFFFAOYSA-N
MW443.35 g/mol
LogP3.31
Rot. Bonds6

About 2-(4-bromophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide

2-(4-bromophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide (PubChem CID 39855257) has the molecular formula C21H23BrN4O2 and a molecular weight of 443.35 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide
PubChem CID39855257
Molecular FormulaC21H23BrN4O2
Molecular Weight443.35 g/mol
Exact Mass442.10
IUPAC Name2-(4-bromophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1nc2ccccc2n1CCN1CCOCC1
InChIInChI=1S/C21H23BrN4O2/c22-17-7-5-16(6-8-17)15-20(27)24-21-23-18-3-1-2-4-19(18)26(21)10-9-25-11-13-28-14-12-25/h1-8H,9-15H2,(H,23,24,27)
InChIKeyZNJIZPGMDQDDSS-UHFFFAOYSA-N
XLogP3.31
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide
CID 39734554
4-iodo-1-methyl-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide
CID 1028481
N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-2-phenoxypropanamide
CID 56725089
4-chloro-1-methyl-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide
CID 17026881
N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959274
3-methoxy-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 91956377
N-(1-propylbenzimidazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 27134350
2-fluoro-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide
CID 118725742
N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]pyridine-4-carboxamide
CID 19576141
2-(2-methylbenzimidazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 848727
2,6-difluoro-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]benzamide
CID 17374527
N-[1-(2-methylpropyl)benzimidazol-2-yl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 157012475

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide (CID 39855257) is 2-(4-bromophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide is O=C(Cc1ccc(Br)cc1)Nc1nc2ccccc2n1CCN1CCOCC1.
What is the InChIKey of 2-(4-bromophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide?
The InChIKey is ZNJIZPGMDQDDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN4O2/c22-17-7-5-16(6-8-17)15-20(27)24-21-23-18-3-1-2-4-19(18)26(21)10-9-25-11-13-28-14-12-25/h1-8H,9-15H2,(H,23,24,27).
What are the key properties of 2-(4-bromophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide?
2-(4-bromophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide has a molecular weight of 443.35 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide is sourced from PubChem (CID 39855257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).