3-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide

C23H27ClN4O2 — CID 42810075

IUPAC3-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESO=C(CCn1c(Cc2cccc(Cl)c2)nc2ccccc21)NCCN1CCOCC1
InChIInChI=1S/C23H27ClN4O2/c24-19-5-3-4-18(16-19)17-22-26-20-6-1-2-7-21(20)28(22)10-8-23(29)25-9-11-27-12-14-30-15-13-27/h1-7,16H,8-15,17H2,(H,25,29)
InChIKeyOOLOEJHZSBEZRG-UHFFFAOYSA-N
MW426.95 g/mol
LogP3.12
Rot. Bonds8

About 3-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide

3-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 42810075) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is 3-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID42810075
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC Name3-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide
SMILESO=C(CCn1c(Cc2cccc(Cl)c2)nc2ccccc21)NCCN1CCOCC1
InChIInChI=1S/C23H27ClN4O2/c24-19-5-3-4-18(16-19)17-22-26-20-6-1-2-7-21(20)28(22)10-8-23(29)25-9-11-27-12-14-30-15-13-27/h1-7,16H,8-15,17H2,(H,25,29)
InChIKeyOOLOEJHZSBEZRG-UHFFFAOYSA-N
XLogP3.12
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016754
2-[2-(3-chlorophenyl)ethylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994936
N-(2-morpholin-4-ylethyl)-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 51159495
2-(2-methylbenzimidazol-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 848727
4-[(2-benzyl-5,6-dichlorobenzimidazol-1-yl)methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 83289834
3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 83289041
3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpropanamide
CID 42810560
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324439
2-(4-chlorophenyl)-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]acetamide
CID 39734554
3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 127118554
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
2-benzyl-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18879539

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide (CID 42810075) is 3-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide is O=C(CCn1c(Cc2cccc(Cl)c2)nc2ccccc21)NCCN1CCOCC1.
What is the InChIKey of 3-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is OOLOEJHZSBEZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O2/c24-19-5-3-4-18(16-19)17-22-26-20-6-1-2-7-21(20)28(22)10-8-23(29)25-9-11-27-12-14-30-15-13-27/h1-7,16H,8-15,17H2,(H,25,29).
What are the key properties of 3-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide?
3-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 426.95 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 42810075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).