N-[4-(4-fluorophenyl)-7-methoxy-1H-benzimidazol-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

C23H25FN4O3 — CID 154589215

IUPACN-[4-(4-fluorophenyl)-7-methoxy-1H-benzimidazol-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCOc1ccc(-c2ccc(F)cc2)c2nc(NC(=O)N3CCC4(CCOCC4)C3)[nH]c12
InChIInChI=1S/C23H25FN4O3/c1-30-18-7-6-17(15-2-4-16(24)5-3-15)19-20(18)26-21(25-19)27-22(29)28-11-8-23(14-28)9-12-31-13-10-23/h2-7H,8-14H2,1H3,(H2,25,26,27,29)
InChIKeySRMXMSMRJILPPK-UHFFFAOYSA-N
MW424.48 g/mol
LogP4.41
Rot. Bonds3

About N-[4-(4-fluorophenyl)-7-methoxy-1H-benzimidazol-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

N-[4-(4-fluorophenyl)-7-methoxy-1H-benzimidazol-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 154589215) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-7-methoxy-1H-benzimidazol-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-7-methoxy-1H-benzimidazol-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID154589215
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC NameN-[4-(4-fluorophenyl)-7-methoxy-1H-benzimidazol-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCOc1ccc(-c2ccc(F)cc2)c2nc(NC(=O)N3CCC4(CCOCC4)C3)[nH]c12
InChIInChI=1S/C23H25FN4O3/c1-30-18-7-6-17(15-2-4-16(24)5-3-15)19-20(18)26-21(25-19)27-22(29)28-11-8-23(14-28)9-12-31-13-10-23/h2-7H,8-14H2,1H3,(H2,25,26,27,29)
InChIKeySRMXMSMRJILPPK-UHFFFAOYSA-N
XLogP4.41
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[7-(benzyloxy)-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]-3-ethylurea
CID 21366049
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(5S)-N-[7-methoxy-4-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide
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4-hydroxy-N-[7-methoxy-4-(1-methylpyrazol-4-yl)-1H-benzimidazol-2-yl]-4-methylpiperidine-1-carboxamide
CID 154589222
(1R,3S,4S)-3-[4-(2-cyclohexylethoxy)-1H-benzimidazol-2-yl]-N-(2,6-dimethylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 155544447
(1R,3S,4S)-3-[4-(cyclopropylmethoxy)-1H-benzimidazol-2-yl]-N-(4-propan-2-ylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 155565383
(1R,3S,4S)-N-(2,6-dimethylphenyl)-3-[4-[(4-fluorophenyl)methoxy]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 155539942
(1R,3S,4S)-N-[4-(dimethylamino)phenyl]-3-[4-[(4-fluorophenyl)methoxy]-1H-benzimidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 155547965
(1R,3S,4S)-N-(4-methylphenyl)-3-(4-phenylmethoxy-1H-benzimidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
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CID 9825642
7-methoxy-4-[2-(N,N-dimethylamino)ethyl]-2-trifluoromethylbenzimidazole
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[2-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-1H-benzimidazol-4-yl] carbamate
CID 17936508

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-7-methoxy-1H-benzimidazol-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-[4-(4-fluorophenyl)-7-methoxy-1H-benzimidazol-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 154589215) is N-[4-(4-fluorophenyl)-7-methoxy-1H-benzimidazol-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-7-methoxy-1H-benzimidazol-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-7-methoxy-1H-benzimidazol-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is COc1ccc(-c2ccc(F)cc2)c2nc(NC(=O)N3CCC4(CCOCC4)C3)[nH]c12.
What is the InChIKey of N-[4-(4-fluorophenyl)-7-methoxy-1H-benzimidazol-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is SRMXMSMRJILPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-30-18-7-6-17(15-2-4-16(24)5-3-15)19-20(18)26-21(25-19)27-22(29)28-11-8-23(14-28)9-12-31-13-10-23/h2-7H,8-14H2,1H3,(H2,25,26,27,29).
What are the key properties of N-[4-(4-fluorophenyl)-7-methoxy-1H-benzimidazol-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
N-[4-(4-fluorophenyl)-7-methoxy-1H-benzimidazol-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-7-methoxy-1H-benzimidazol-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 154589215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).