N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide

C19H22N4O2S — CID 99776473

IUPACN-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2cscn2)nc2ccccc21)N[C@@H]1CCCC[C@H]1CO
InChIInChI=1S/C19H22N4O2S/c24-10-13-5-1-2-6-14(13)21-18(25)9-23-17-8-4-3-7-15(17)22-19(23)16-11-26-12-20-16/h3-4,7-8,11-14,24H,1-2,5-6,9-10H2,(H,21,25)/t13-,14+/m0/s1
InChIKeyVAHHJHKMHPSRDU-UONOGXRCSA-N
MW370.48 g/mol
LogP2.83
Rot. Bonds5

About N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide

N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide (PubChem CID 99776473) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
PubChem CID99776473
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(-c2cscn2)nc2ccccc21)N[C@@H]1CCCC[C@H]1CO
InChIInChI=1S/C19H22N4O2S/c24-10-13-5-1-2-6-14(13)21-18(25)9-23-17-8-4-3-7-15(17)22-19(23)16-11-26-12-20-16/h3-4,7-8,11-14,24H,1-2,5-6,9-10H2,(H,21,25)/t13-,14+/m0/s1
InChIKeyVAHHJHKMHPSRDU-UONOGXRCSA-N
XLogP2.83
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide (CID 99776473) is N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide is O=C(Cn1c(-c2cscn2)nc2ccccc21)N[C@@H]1CCCC[C@H]1CO.
What is the InChIKey of N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
The InChIKey is VAHHJHKMHPSRDU-UONOGXRCSA-N. The full InChI is InChI=1S/C19H22N4O2S/c24-10-13-5-1-2-6-14(13)21-18(25)9-23-17-8-4-3-7-15(17)22-19(23)16-11-26-12-20-16/h3-4,7-8,11-14,24H,1-2,5-6,9-10H2,(H,21,25)/t13-,14+/m0/s1.
What are the key properties of N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide?
N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide has a molecular weight of 370.48 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 99776473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).