3-[1-[2-[(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one

C26H34N4O — CID 18735093

IUPAC3-[1-[2-[(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCC1c2ccccc2CCC1NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C26H34N4O/c1-2-21-22-8-4-3-7-19(22)11-12-23(21)27-15-18-29-16-13-20(14-17-29)30-25-10-6-5-9-24(25)28-26(30)31/h3-10,20-21,23,27H,2,11-18H2,1H3,(H,28,31)
InChIKeyPUPCECTXPLQGFF-UHFFFAOYSA-N
MW418.59 g/mol
LogP4.06
Rot. Bonds6

About 3-[1-[2-[(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[2-[(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 18735093) has the molecular formula C26H34N4O and a molecular weight of 418.59 g/mol. Its IUPAC name is 3-[1-[2-[(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[2-[(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID18735093
Molecular FormulaC26H34N4O
Molecular Weight418.59 g/mol
Exact Mass418.27
IUPAC Name3-[1-[2-[(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCC1c2ccccc2CCC1NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C26H34N4O/c1-2-21-22-8-4-3-7-19(22)11-12-23(21)27-15-18-29-16-13-20(14-17-29)30-25-10-6-5-9-24(25)28-26(30)31/h3-10,20-21,23,27H,2,11-18H2,1H3,(H,28,31)
InChIKeyPUPCECTXPLQGFF-UHFFFAOYSA-N
XLogP4.06
TPSA53.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.59
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[1-[2-[(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one with MolForge

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Related Compounds

N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]propane-1-sulfonamide
CID 53470365
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
3-[1-[3-[ethyl(methyl)amino]propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968531
3-[1-[2-[[(3aR,9bS)-1,3,3a,4,5,9b-hexahydrobenzo[e]indol-2-ylidene]amino]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 136500375
3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 21262755
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40872849
N-[1-[2-[(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]pyrrolidin-3-yl]benzamide
CID 18735112
ethyl 2-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethylcarbamoylamino]acetate
CID 53470248
3-[1-[3-(4-fluoroanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968540
2-chloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 21428921
N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide
CID 51078345
3-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968593

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[2-[(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 18735093) is 3-[1-[2-[(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[2-[(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[2-[(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one is CCC1c2ccccc2CCC1NCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-[1-[2-[(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is PUPCECTXPLQGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O/c1-2-21-22-8-4-3-7-19(22)11-12-23(21)27-15-18-29-16-13-20(14-17-29)30-25-10-6-5-9-24(25)28-26(30)31/h3-10,20-21,23,27H,2,11-18H2,1H3,(H,28,31).
What are the key properties of 3-[1-[2-[(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[2-[(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 418.59 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-[(1-ethyl-1,2,3,4-tetrahydronaphthalen-2-yl)amino]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 18735093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).