[5-[(2-methylbenzimidazol-1-yl)methyl]pyrazolidin-3-yl]-thiomorpholin-4-ylmethanone

C17H23N5OS — CID 74415997

IUPAC[5-[(2-methylbenzimidazol-1-yl)methyl]pyrazolidin-3-yl]-thiomorpholin-4-ylmethanone
SMILESCc1nc2ccccc2n1CC1CC(C(=O)N2CCSCC2)NN1
InChIInChI=1S/C17H23N5OS/c1-12-18-14-4-2-3-5-16(14)22(12)11-13-10-15(20-19-13)17(23)21-6-8-24-9-7-21/h2-5,13,15,19-20H,6-11H2,1H3
InChIKeyIAYZRGUNIHLKOL-UHFFFAOYSA-N
MW345.47 g/mol
LogP1.16
Rot. Bonds3

About [5-[(2-methylbenzimidazol-1-yl)methyl]pyrazolidin-3-yl]-thiomorpholin-4-ylmethanone

[5-[(2-methylbenzimidazol-1-yl)methyl]pyrazolidin-3-yl]-thiomorpholin-4-ylmethanone (PubChem CID 74415997) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is [5-[(2-methylbenzimidazol-1-yl)methyl]pyrazolidin-3-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[(2-methylbenzimidazol-1-yl)methyl]pyrazolidin-3-yl]-thiomorpholin-4-ylmethanone
PubChem CID74415997
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name[5-[(2-methylbenzimidazol-1-yl)methyl]pyrazolidin-3-yl]-thiomorpholin-4-ylmethanone
SMILESCc1nc2ccccc2n1CC1CC(C(=O)N2CCSCC2)NN1
InChIInChI=1S/C17H23N5OS/c1-12-18-14-4-2-3-5-16(14)22(12)11-13-10-15(20-19-13)17(23)21-6-8-24-9-7-21/h2-5,13,15,19-20H,6-11H2,1H3
InChIKeyIAYZRGUNIHLKOL-UHFFFAOYSA-N
XLogP1.16
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-5-[(2-methylbenzimidazol-1-yl)methyl]-N-(thiophen-3-ylmethyl)pyrazolidine-3-carboxamide
CID 74809978
1-(cyclopentylmethyl)-2-methylbenzimidazole
CID 112728278
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 61274604
2-(2-methylbenzimidazol-1-yl)-N-(2-methyl-4-thiomorpholin-4-ylphenyl)acetamide
CID 49364541
N-[2-(2-methylbenzimidazol-1-yl)ethyl]thian-4-amine
CID 43394941
[5-[(2-fluorophenoxy)methyl]pyrazolidin-3-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone
CID 74811360
2-[1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-4-yl]acetamide
CID 131963219
1-cyclopropyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]urea
CID 47238303
N-cyclopropyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755737
1-[4-(dimethylamino)azepan-1-yl]-3-(2-methylbenzimidazol-1-yl)propan-1-one
CID 56907377
2-methyl-1-[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-amine;hydrochloride
CID 120851115

Frequently Asked Questions

What is the IUPAC name of [5-[(2-methylbenzimidazol-1-yl)methyl]pyrazolidin-3-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [5-[(2-methylbenzimidazol-1-yl)methyl]pyrazolidin-3-yl]-thiomorpholin-4-ylmethanone (CID 74415997) is [5-[(2-methylbenzimidazol-1-yl)methyl]pyrazolidin-3-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [5-[(2-methylbenzimidazol-1-yl)methyl]pyrazolidin-3-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [5-[(2-methylbenzimidazol-1-yl)methyl]pyrazolidin-3-yl]-thiomorpholin-4-ylmethanone is Cc1nc2ccccc2n1CC1CC(C(=O)N2CCSCC2)NN1.
What is the InChIKey of [5-[(2-methylbenzimidazol-1-yl)methyl]pyrazolidin-3-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is IAYZRGUNIHLKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-12-18-14-4-2-3-5-16(14)22(12)11-13-10-15(20-19-13)17(23)21-6-8-24-9-7-21/h2-5,13,15,19-20H,6-11H2,1H3.
What are the key properties of [5-[(2-methylbenzimidazol-1-yl)methyl]pyrazolidin-3-yl]-thiomorpholin-4-ylmethanone?
[5-[(2-methylbenzimidazol-1-yl)methyl]pyrazolidin-3-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 345.47 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-methylbenzimidazol-1-yl)methyl]pyrazolidin-3-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 74415997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).