1-[4-[(1-methylbenzimidazol-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]piperidin-1-yl]ethanone

C20H25N5OS — CID 139010189

IUPAC1-[4-[(1-methylbenzimidazol-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N(Cc2cncs2)Cc2nc3ccccc3n2C)CC1
InChIInChI=1S/C20H25N5OS/c1-15(26)24-9-7-16(8-10-24)25(12-17-11-21-14-27-17)13-20-22-18-5-3-4-6-19(18)23(20)2/h3-6,11,14,16H,7-10,12-13H2,1-2H3
InChIKeyFXDOBPYLGHGSNX-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.04
Rot. Bonds5

About 1-[4-[(1-methylbenzimidazol-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]piperidin-1-yl]ethanone

1-[4-[(1-methylbenzimidazol-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]piperidin-1-yl]ethanone (PubChem CID 139010189) has the molecular formula C20H25N5OS and a molecular weight of 383.52 g/mol. Its IUPAC name is 1-[4-[(1-methylbenzimidazol-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(1-methylbenzimidazol-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]piperidin-1-yl]ethanone
PubChem CID139010189
Molecular FormulaC20H25N5OS
Molecular Weight383.52 g/mol
Exact Mass383.18
IUPAC Name1-[4-[(1-methylbenzimidazol-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N(Cc2cncs2)Cc2nc3ccccc3n2C)CC1
InChIInChI=1S/C20H25N5OS/c1-15(26)24-9-7-16(8-10-24)25(12-17-11-21-14-27-17)13-20-22-18-5-3-4-6-19(18)23(20)2/h3-6,11,14,16H,7-10,12-13H2,1-2H3
InChIKeyFXDOBPYLGHGSNX-UHFFFAOYSA-N
XLogP3.04
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[(1-methylbenzimidazol-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]piperidin-1-yl]ethanone with MolForge

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropanamine
CID 46986465
1-(cyclobutanecarbonyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 72926073
[6-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133346042
3-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-1-methylquinoxalin-2-one
CID 86774514
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 91764570
2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetic acid
CID 101152444
(2S)-2-amino-3-[(1-methylbenzimidazol-2-yl)methyl-sulfamoylamino]propanoic acid
CID 67155047
1-cyclopentyl-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79753927
(2S,3R)-N,2-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-3-carboxamide
CID 129401690
1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
CID 6491167
cyclopropyl-[(3S,4S)-3-methyl-4-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]methanone
CID 96513528
2-[(1-methylbenzimidazol-2-yl)methyl]phenol
CID 14452296

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-methylbenzimidazol-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(1-methylbenzimidazol-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]piperidin-1-yl]ethanone (CID 139010189) is 1-[4-[(1-methylbenzimidazol-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(1-methylbenzimidazol-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(1-methylbenzimidazol-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(N(Cc2cncs2)Cc2nc3ccccc3n2C)CC1.
What is the InChIKey of 1-[4-[(1-methylbenzimidazol-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]piperidin-1-yl]ethanone?
The InChIKey is FXDOBPYLGHGSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5OS/c1-15(26)24-9-7-16(8-10-24)25(12-17-11-21-14-27-17)13-20-22-18-5-3-4-6-19(18)23(20)2/h3-6,11,14,16H,7-10,12-13H2,1-2H3.
What are the key properties of 1-[4-[(1-methylbenzimidazol-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]piperidin-1-yl]ethanone?
1-[4-[(1-methylbenzimidazol-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]piperidin-1-yl]ethanone has a molecular weight of 383.52 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-methylbenzimidazol-2-yl)methyl-(1,3-thiazol-5-ylmethyl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 139010189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).