4-(1-ethylbenzimidazol-2-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]butanamide

C24H30FN5O2 — CID 155989842

IUPAC4-(1-ethylbenzimidazol-2-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]butanamide
SMILESCCn1c(CCCC(=O)NCC2(O)CCCN(c3ccc(F)cn3)C2)nc2ccccc21
InChIInChI=1S/C24H30FN5O2/c1-2-30-20-8-4-3-7-19(20)28-22(30)9-5-10-23(31)27-16-24(32)13-6-14-29(17-24)21-12-11-18(25)15-26-21/h3-4,7-8,11-12,15,32H,2,5-6,9-10,13-14,16-17H2,1H3,(H,27,31)
InChIKeyMFXJZKKFQLOQDJ-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.06
Rot. Bonds8

About 4-(1-ethylbenzimidazol-2-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]butanamide

4-(1-ethylbenzimidazol-2-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]butanamide (PubChem CID 155989842) has the molecular formula C24H30FN5O2 and a molecular weight of 439.54 g/mol. Its IUPAC name is 4-(1-ethylbenzimidazol-2-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]butanamide.

Molecular Properties

Compound Name4-(1-ethylbenzimidazol-2-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]butanamide
PubChem CID155989842
Molecular FormulaC24H30FN5O2
Molecular Weight439.54 g/mol
Exact Mass439.24
IUPAC Name4-(1-ethylbenzimidazol-2-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]butanamide
SMILESCCn1c(CCCC(=O)NCC2(O)CCCN(c3ccc(F)cn3)C2)nc2ccccc21
InChIInChI=1S/C24H30FN5O2/c1-2-30-20-8-4-3-7-19(20)28-22(30)9-5-10-23(31)27-16-24(32)13-6-14-29(17-24)21-12-11-18(25)15-26-21/h3-4,7-8,11-12,15,32H,2,5-6,9-10,13-14,16-17H2,1H3,(H,27,31)
InChIKeyMFXJZKKFQLOQDJ-UHFFFAOYSA-N
XLogP3.06
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(1-ethylbenzimidazol-2-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]butanamide with MolForge

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Related Compounds

N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-3-(2-methylbenzimidazol-1-yl)propanamide
CID 155989847
3-(2-ethylbenzimidazol-1-yl)-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-N-methylpropanamide
CID 124950829
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-[2-(trifluoromethyl)benzimidazol-1-yl]butanamide
CID 155989766
1-ethyl-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]pyrazole-4-carboxamide
CID 124999832
3-(6-chloro-1H-benzimidazol-2-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]propanamide
CID 155989841
N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(2-methylbenzimidazol-1-yl)butanamide
CID 155989790
N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-5-methylpyrazine-2-carboxamide
CID 124991641
1-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936673
5-ethyl-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 125010520
N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 110124157
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-pyrazol-1-ylbutanamide
CID 110124102
2-(2-ethylimidazol-1-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypyrrolidin-3-yl]methyl]acetamide
CID 110124292

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylbenzimidazol-2-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]butanamide?
The IUPAC name of 4-(1-ethylbenzimidazol-2-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]butanamide (CID 155989842) is 4-(1-ethylbenzimidazol-2-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]butanamide.
What is the SMILES notation for 4-(1-ethylbenzimidazol-2-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]butanamide?
The canonical SMILES for 4-(1-ethylbenzimidazol-2-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]butanamide is CCn1c(CCCC(=O)NCC2(O)CCCN(c3ccc(F)cn3)C2)nc2ccccc21.
What is the InChIKey of 4-(1-ethylbenzimidazol-2-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]butanamide?
The InChIKey is MFXJZKKFQLOQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O2/c1-2-30-20-8-4-3-7-19(20)28-22(30)9-5-10-23(31)27-16-24(32)13-6-14-29(17-24)21-12-11-18(25)15-26-21/h3-4,7-8,11-12,15,32H,2,5-6,9-10,13-14,16-17H2,1H3,(H,27,31).
What are the key properties of 4-(1-ethylbenzimidazol-2-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]butanamide?
4-(1-ethylbenzimidazol-2-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]butanamide has a molecular weight of 439.54 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylbenzimidazol-2-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]butanamide is sourced from PubChem (CID 155989842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).