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

C21H23ClN4O2 — CID 39734554

IUPAC2-(4-chlorophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1nc2ccccc2n1CCN1CCOCC1
InChIInChI=1S/C21H23ClN4O2/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)
InChIKeyXJPBOTAZFUIVJB-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.20
Rot. Bonds6

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

2-(4-chlorophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide (PubChem CID 39734554) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide
PubChem CID39734554
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC Name2-(4-chlorophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1nc2ccccc2n1CCN1CCOCC1
InChIInChI=1S/C21H23ClN4O2/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)
InChIKeyXJPBOTAZFUIVJB-UHFFFAOYSA-N
XLogP3.20
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide
CID 39855257
4-chloro-1-methyl-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]pyrazole-3-carboxamide
CID 17026881
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
N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 91959274
4-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]morpholine
CID 18885480
N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]acetamide
CID 867624
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
5-[(4-chloropyrazol-1-yl)methyl]-N-[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]furan-2-carboxamide
CID 35523435
N-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]benzamide
CID 1111773

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide (CID 39734554) is 2-(4-chlorophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide is O=C(Cc1ccc(Cl)cc1)Nc1nc2ccccc2n1CCN1CCOCC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide?
The InChIKey is XJPBOTAZFUIVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/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-chlorophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide?
2-(4-chlorophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide has a molecular weight of 398.89 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide is sourced from PubChem (CID 39734554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).