3-[1-[2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one

C18H21N5O2S — CID 136512317

IUPAC3-[1-[2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCNc1ncc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)s1
InChIInChI=1S/C18H21N5O2S/c1-2-19-17-20-11-15(26-17)16(24)22-9-7-12(8-10-22)23-14-6-4-3-5-13(14)21-18(23)25/h3-6,11-12H,2,7-10H2,1H3,(H,19,20)(H,21,25)
InChIKeyNTUXTVCFBXBCLA-UHFFFAOYSA-N
MW371.47 g/mol
LogP2.70
Rot. Bonds4

About 3-[1-[2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 136512317) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is 3-[1-[2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID136512317
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Name3-[1-[2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCNc1ncc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)s1
InChIInChI=1S/C18H21N5O2S/c1-2-19-17-20-11-15(26-17)16(24)22-9-7-12(8-10-22)23-14-6-4-3-5-13(14)21-18(23)25/h3-6,11-12H,2,7-10H2,1H3,(H,19,20)(H,21,25)
InChIKeyNTUXTVCFBXBCLA-UHFFFAOYSA-N
XLogP2.70
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 51245657
3-[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 55431925
methyl 3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoate
CID 134069333
3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735719
3-[1-(2-ethylcyclopentanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968110
3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 27184460
3-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 58863178
3-[1-(2-bromobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 44756975
3-[1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 70707174
3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 55431766
N-(cyclopentylmethyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 172967857
3-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 119696094

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 136512317) is 3-[1-[2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one is CCNc1ncc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)s1.
What is the InChIKey of 3-[1-[2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is NTUXTVCFBXBCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-2-19-17-20-11-15(26-17)16(24)22-9-7-12(8-10-22)23-14-6-4-3-5-13(14)21-18(23)25/h3-6,11-12H,2,7-10H2,1H3,(H,19,20)(H,21,25).
What are the key properties of 3-[1-[2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 371.47 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 136512317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).