N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-ethylbenzimidazol-1-yl)acetamide

C23H27ClN4O — CID 55428267

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-ethylbenzimidazol-1-yl)acetamide
SMILESCCc1nc2ccccc2n1CC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H27ClN4O/c1-2-22-26-20-5-3-4-6-21(20)28(22)16-23(29)25-19-11-13-27(14-12-19)15-17-7-9-18(24)10-8-17/h3-10,19H,2,11-16H2,1H3,(H,25,29)
InChIKeyZTUTZBTVACLAFA-UHFFFAOYSA-N
MW410.95 g/mol
LogP4.03
Rot. Bonds6

About N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-ethylbenzimidazol-1-yl)acetamide

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-ethylbenzimidazol-1-yl)acetamide (PubChem CID 55428267) has the molecular formula C23H27ClN4O and a molecular weight of 410.95 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-ethylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-ethylbenzimidazol-1-yl)acetamide
PubChem CID55428267
Molecular FormulaC23H27ClN4O
Molecular Weight410.95 g/mol
Exact Mass410.19
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-ethylbenzimidazol-1-yl)acetamide
SMILESCCc1nc2ccccc2n1CC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H27ClN4O/c1-2-22-26-20-5-3-4-6-21(20)28(22)16-23(29)25-19-11-13-27(14-12-19)15-17-7-9-18(24)10-8-17/h3-10,19H,2,11-16H2,1H3,(H,25,29)
InChIKeyZTUTZBTVACLAFA-UHFFFAOYSA-N
XLogP4.03
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylbenzimidazol-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 51219854
2-(2-ethylbenzimidazol-1-yl)-N-(oxan-4-yl)acetamide
CID 115588669
4-chloro-N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029542
N-cyclopropyl-3-(2-ethylbenzimidazol-1-yl)propanamide
CID 115602213
N-cyclohexyl-2-(2-propylbenzimidazol-1-yl)acetamide
CID 17028657
1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-ethyl-N-methylpiperidine-4-carboxamide
CID 124801929
N-(1-benzylpiperidin-4-yl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 34363205
4-chloro-N-[3-[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031635
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide
CID 78822391
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(4-ethylphenyl)propanamide
CID 55428414
3-[2-(cyclopropylamino)-2-oxoethyl]-2-ethylbenzimidazole-5-carboxylic acid
CID 82770860
N-cyclopropyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755737

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-ethylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-ethylbenzimidazol-1-yl)acetamide (CID 55428267) is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-ethylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-ethylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-ethylbenzimidazol-1-yl)acetamide is CCc1nc2ccccc2n1CC(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-ethylbenzimidazol-1-yl)acetamide?
The InChIKey is ZTUTZBTVACLAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O/c1-2-22-26-20-5-3-4-6-21(20)28(22)16-23(29)25-19-11-13-27(14-12-19)15-17-7-9-18(24)10-8-17/h3-10,19H,2,11-16H2,1H3,(H,25,29).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-ethylbenzimidazol-1-yl)acetamide?
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-ethylbenzimidazol-1-yl)acetamide has a molecular weight of 410.95 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-ethylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 55428267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).