(2R)-1-[2-[2-(methoxymethyl)benzimidazol-1-yl]acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide

C24H29N5O3 — CID 129458897

IUPAC(2R)-1-[2-[2-(methoxymethyl)benzimidazol-1-yl]acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide
SMILESCOCc1nc2ccccc2n1CC(=O)N1CCN(CCc2ccccc2)C[C@@H]1C(N)=O
InChIInChI=1S/C24H29N5O3/c1-32-17-22-26-19-9-5-6-10-20(19)29(22)16-23(30)28-14-13-27(15-21(28)24(25)31)12-11-18-7-3-2-4-8-18/h2-10,21H,11-17H2,1H3,(H2,25,31)/t21-/m1/s1
InChIKeyVOPHOJPALNWLCR-OAQYLSRUSA-N
MW435.53 g/mol
LogP1.42
Rot. Bonds8

About (2R)-1-[2-[2-(methoxymethyl)benzimidazol-1-yl]acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide

(2R)-1-[2-[2-(methoxymethyl)benzimidazol-1-yl]acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide (PubChem CID 129458897) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is (2R)-1-[2-[2-(methoxymethyl)benzimidazol-1-yl]acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[2-[2-(methoxymethyl)benzimidazol-1-yl]acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide
PubChem CID129458897
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name(2R)-1-[2-[2-(methoxymethyl)benzimidazol-1-yl]acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide
SMILESCOCc1nc2ccccc2n1CC(=O)N1CCN(CCc2ccccc2)C[C@@H]1C(N)=O
InChIInChI=1S/C24H29N5O3/c1-32-17-22-26-19-9-5-6-10-20(19)29(22)16-23(30)28-14-13-27(15-21(28)24(25)31)12-11-18-7-3-2-4-8-18/h2-10,21H,11-17H2,1H3,(H2,25,31)/t21-/m1/s1
InChIKeyVOPHOJPALNWLCR-OAQYLSRUSA-N
XLogP1.42
TPSA93.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-(2-methylpropanoyl)-4-(2-phenylethyl)piperazine-2-carboxamide
CID 124962044
1-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]piperidine-2-carboxamide
CID 112758699
2-[2-(methoxymethyl)benzimidazol-1-yl]-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone
CID 92625830
1-[3-(2,6-dioxopiperidin-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide
CID 175658819
1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanone
CID 37334061
4-(2-phenylethyl)-1-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide
CID 175658374
(2S)-1-methyl-4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]piperazine-2-carboxamide
CID 124984378
1-[2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]acetyl]-6-methylpiperidine-3-carboxamide
CID 78902802
N-cyclopropyl-1-[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]pyrrolidine-2-carboxamide
CID 78857621
(2S)-1-[2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119365503
2-(2-benzylbenzimidazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 16995636
(2R)-1-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]-4-(2-phenylethyl)piperazine-2-carboxamide
CID 124977353

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[2-(methoxymethyl)benzimidazol-1-yl]acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide?
The IUPAC name of (2R)-1-[2-[2-(methoxymethyl)benzimidazol-1-yl]acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide (CID 129458897) is (2R)-1-[2-[2-(methoxymethyl)benzimidazol-1-yl]acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide.
What is the SMILES notation for (2R)-1-[2-[2-(methoxymethyl)benzimidazol-1-yl]acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide?
The canonical SMILES for (2R)-1-[2-[2-(methoxymethyl)benzimidazol-1-yl]acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide is COCc1nc2ccccc2n1CC(=O)N1CCN(CCc2ccccc2)C[C@@H]1C(N)=O.
What is the InChIKey of (2R)-1-[2-[2-(methoxymethyl)benzimidazol-1-yl]acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide?
The InChIKey is VOPHOJPALNWLCR-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-32-17-22-26-19-9-5-6-10-20(19)29(22)16-23(30)28-14-13-27(15-21(28)24(25)31)12-11-18-7-3-2-4-8-18/h2-10,21H,11-17H2,1H3,(H2,25,31)/t21-/m1/s1.
What are the key properties of (2R)-1-[2-[2-(methoxymethyl)benzimidazol-1-yl]acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide?
(2R)-1-[2-[2-(methoxymethyl)benzimidazol-1-yl]acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[2-(methoxymethyl)benzimidazol-1-yl]acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide is sourced from PubChem (CID 129458897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).