N-[(1R,2S,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-N-methyl-2-[(1-methylbenzimidazol-2-yl)methoxy]acetamide

C21H27N5O3 — CID 110163998

IUPACN-[(1R,2S,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-N-methyl-2-[(1-methylbenzimidazol-2-yl)methoxy]acetamide
SMILESCN(C(=O)COCc1nc2ccccc2n1C)[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O
InChIInChI=1S/C21H27N5O3/c1-24-16-7-4-3-6-15(16)23-19(24)12-29-13-20(27)25(2)17-8-5-9-18(21(17)28)26-11-10-22-14-26/h3-4,6-7,10-11,14,17-18,21,28H,5,8-9,12-13H2,1-2H3/t17-,18-,21-/m1/s1
InChIKeyZSJGBBMSIKHDQY-DBXWQHBBSA-N
MW397.48 g/mol
LogP1.90
Rot. Bonds6

About N-[(1R,2S,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-N-methyl-2-[(1-methylbenzimidazol-2-yl)methoxy]acetamide

N-[(1R,2S,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-N-methyl-2-[(1-methylbenzimidazol-2-yl)methoxy]acetamide (PubChem CID 110163998) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[(1R,2S,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-N-methyl-2-[(1-methylbenzimidazol-2-yl)methoxy]acetamide.

Molecular Properties

Compound NameN-[(1R,2S,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-N-methyl-2-[(1-methylbenzimidazol-2-yl)methoxy]acetamide
PubChem CID110163998
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC NameN-[(1R,2S,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-N-methyl-2-[(1-methylbenzimidazol-2-yl)methoxy]acetamide
SMILESCN(C(=O)COCc1nc2ccccc2n1C)[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O
InChIInChI=1S/C21H27N5O3/c1-24-16-7-4-3-6-15(16)23-19(24)12-29-13-20(27)25(2)17-8-5-9-18(21(17)28)26-11-10-22-14-26/h3-4,6-7,10-11,14,17-18,21,28H,5,8-9,12-13H2,1-2H3/t17-,18-,21-/m1/s1
InChIKeyZSJGBBMSIKHDQY-DBXWQHBBSA-N
XLogP1.90
TPSA85.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,6-di(imidazol-1-yl)cyclohexan-1-ol
CID 91619575
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcyclopentyl]-2-[(1-methylbenzimidazol-2-yl)methoxy]acetamide
CID 110163930
1-[(3R,4R)-4-hydroxy-1-[2-[(1-methylbenzimidazol-2-yl)methoxy]acetyl]pyrrolidin-3-yl]indole-5-carboxamide
CID 110160489
2-(cyclopropylmethoxy)-N-methyl-N-(1-methylbenzimidazol-2-yl)acetamide
CID 86792738
1-cyclopentyl-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79753927
1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 79754349
N-[(1R,2S,3R)-2-hydroxy-3-imidazol-1-ylcyclopentyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 110159147
2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-methyl-N-(2-methylcyclohexyl)acetamide
CID 110899546
2-[(1-methylbenzimidazol-2-yl)methyl]cyclohexan-1-ol
CID 79750115
2-(1-methylbenzimidazol-2-yl)-1-(2-methylcyclopropyl)ethanone
CID 79754172
1-(cyclobutanecarbonyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 72926073
1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 115782360

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-N-methyl-2-[(1-methylbenzimidazol-2-yl)methoxy]acetamide?
The IUPAC name of N-[(1R,2S,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-N-methyl-2-[(1-methylbenzimidazol-2-yl)methoxy]acetamide (CID 110163998) is N-[(1R,2S,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-N-methyl-2-[(1-methylbenzimidazol-2-yl)methoxy]acetamide.
What is the SMILES notation for N-[(1R,2S,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-N-methyl-2-[(1-methylbenzimidazol-2-yl)methoxy]acetamide?
The canonical SMILES for N-[(1R,2S,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-N-methyl-2-[(1-methylbenzimidazol-2-yl)methoxy]acetamide is CN(C(=O)COCc1nc2ccccc2n1C)[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O.
What is the InChIKey of N-[(1R,2S,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-N-methyl-2-[(1-methylbenzimidazol-2-yl)methoxy]acetamide?
The InChIKey is ZSJGBBMSIKHDQY-DBXWQHBBSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-24-16-7-4-3-6-15(16)23-19(24)12-29-13-20(27)25(2)17-8-5-9-18(21(17)28)26-11-10-22-14-26/h3-4,6-7,10-11,14,17-18,21,28H,5,8-9,12-13H2,1-2H3/t17-,18-,21-/m1/s1.
What are the key properties of N-[(1R,2S,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-N-methyl-2-[(1-methylbenzimidazol-2-yl)methoxy]acetamide?
N-[(1R,2S,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-N-methyl-2-[(1-methylbenzimidazol-2-yl)methoxy]acetamide has a molecular weight of 397.48 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]-N-methyl-2-[(1-methylbenzimidazol-2-yl)methoxy]acetamide is sourced from PubChem (CID 110163998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).