N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]acetamide

C25H33N5O3 — CID 133143535

IUPACN-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]acetamide
SMILESCOCCn1c([C@H](C)NC(=O)CC2C(C)NNC2c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C25H33N5O3/c1-16-20(24(29-28-16)18-9-11-19(33-4)12-10-18)15-23(31)26-17(2)25-27-21-7-5-6-8-22(21)30(25)13-14-32-3/h5-12,16-17,20,24,28-29H,13-15H2,1-4H3,(H,26,31)/t16?,17-,20?,24?/m0/s1
InChIKeyIUNLGEFIBHTKGL-JCGSGIEUSA-N
MW451.57 g/mol
LogP3.11
Rot. Bonds9

About N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]acetamide

N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]acetamide (PubChem CID 133143535) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]acetamide
PubChem CID133143535
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC NameN-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]acetamide
SMILESCOCCn1c([C@H](C)NC(=O)CC2C(C)NNC2c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C25H33N5O3/c1-16-20(24(29-28-16)18-9-11-19(33-4)12-10-18)15-23(31)26-17(2)25-27-21-7-5-6-8-22(21)30(25)13-14-32-3/h5-12,16-17,20,24,28-29H,13-15H2,1-4H3,(H,26,31)/t16?,17-,20?,24?/m0/s1
InChIKeyIUNLGEFIBHTKGL-JCGSGIEUSA-N
XLogP3.11
TPSA89.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 133141908
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-(4-methoxyphenyl)propanamide
CID 91821956
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971833
3-methoxy-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 17010214
2-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 16972665
N-[1-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16970172
2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]acetamide
CID 134126708
N-[1-(1-butylbenzimidazol-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 16972671
2-(4-methoxyphenyl)-N-[1-(1-octadecylbenzimidazol-2-yl)ethyl]acetamide
CID 16972683
N-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 125343401
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619750
2-methoxy-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 5013260

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]acetamide?
The IUPAC name of N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]acetamide (CID 133143535) is N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]acetamide.
What is the SMILES notation for N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]acetamide?
The canonical SMILES for N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]acetamide is COCCn1c([C@H](C)NC(=O)CC2C(C)NNC2c2ccc(OC)cc2)nc2ccccc21.
What is the InChIKey of N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]acetamide?
The InChIKey is IUNLGEFIBHTKGL-JCGSGIEUSA-N. The full InChI is InChI=1S/C25H33N5O3/c1-16-20(24(29-28-16)18-9-11-19(33-4)12-10-18)15-23(31)26-17(2)25-27-21-7-5-6-8-22(21)30(25)13-14-32-3/h5-12,16-17,20,24,28-29H,13-15H2,1-4H3,(H,26,31)/t16?,17-,20?,24?/m0/s1.
What are the key properties of N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]acetamide?
N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]acetamide has a molecular weight of 451.57 g/mol, XLogP of 3.11, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-[3-(4-methoxyphenyl)-5-methylpyrazolidin-4-yl]acetamide is sourced from PubChem (CID 133143535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).