[6-chloro-3-[4-(2,3-dihydrobenzimidazol-1-yl)piperidine-1-carbonyl]indol-1-yl]-(2-fluorophenyl)methanone

C28H24ClFN4O2 — CID 174547349

IUPAC[6-chloro-3-[4-(2,3-dihydrobenzimidazol-1-yl)piperidine-1-carbonyl]indol-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1cn(C(=O)c2ccccc2F)c2cc(Cl)ccc12)N1CCC(N2CNc3ccccc32)CC1
InChIInChI=1S/C28H24ClFN4O2/c29-18-9-10-20-22(16-33(26(20)15-18)28(36)21-5-1-2-6-23(21)30)27(35)32-13-11-19(12-14-32)34-17-31-24-7-3-4-8-25(24)34/h1-10,15-16,19,31H,11-14,17H2
InChIKeySAIOQSOPFWMLDG-UHFFFAOYSA-N
MW502.98 g/mol
LogP5.62
Rot. Bonds3

About [6-chloro-3-[4-(2,3-dihydrobenzimidazol-1-yl)piperidine-1-carbonyl]indol-1-yl]-(2-fluorophenyl)methanone

[6-chloro-3-[4-(2,3-dihydrobenzimidazol-1-yl)piperidine-1-carbonyl]indol-1-yl]-(2-fluorophenyl)methanone (PubChem CID 174547349) has the molecular formula C28H24ClFN4O2 and a molecular weight of 502.98 g/mol. Its IUPAC name is [6-chloro-3-[4-(2,3-dihydrobenzimidazol-1-yl)piperidine-1-carbonyl]indol-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[6-chloro-3-[4-(2,3-dihydrobenzimidazol-1-yl)piperidine-1-carbonyl]indol-1-yl]-(2-fluorophenyl)methanone
PubChem CID174547349
Molecular FormulaC28H24ClFN4O2
Molecular Weight502.98 g/mol
Exact Mass502.16
IUPAC Name[6-chloro-3-[4-(2,3-dihydrobenzimidazol-1-yl)piperidine-1-carbonyl]indol-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1cn(C(=O)c2ccccc2F)c2cc(Cl)ccc12)N1CCC(N2CNc3ccccc32)CC1
InChIInChI=1S/C28H24ClFN4O2/c29-18-9-10-20-22(16-33(26(20)15-18)28(36)21-5-1-2-6-23(21)30)27(35)32-13-11-19(12-14-32)34-17-31-24-7-3-4-8-25(24)34/h1-10,15-16,19,31H,11-14,17H2
InChIKeySAIOQSOPFWMLDG-UHFFFAOYSA-N
XLogP5.62
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.98
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 108533710
[6-chloro-1-[[(2S)-pyrrolidin-2-yl]methyl]indol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 56839963
1-[1-(6-chloro-1-propylindole-3-carbonyl)piperidin-4-yl]-3H-indol-2-one
CID 174598420
2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]indol-1-yl]acetaldehyde;hydrochloride
CID 87470632
[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 78850151
1-[6-chloro-3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone
CID 113213107
2-[6-chloro-3-[4-(2-oxo-3H-indol-1-yl)piperidine-1-carbonyl]indol-1-yl]-N-methylacetamide
CID 24987657
1-[3-(4-benzylpiperazine-1-carbonyl)-6-chloroindol-1-yl]ethanone
CID 113213106
[1-[(2S)-2-aminopropyl]-6-chloroindol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 46898555
N-(2-aminoethyl)-2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]indol-1-yl]acetamide
CID 59429610
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone;oxalic acid
CID 648267
N-(4-chloro-2-methylphenyl)-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 113007277

Frequently Asked Questions

What is the IUPAC name of [6-chloro-3-[4-(2,3-dihydrobenzimidazol-1-yl)piperidine-1-carbonyl]indol-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [6-chloro-3-[4-(2,3-dihydrobenzimidazol-1-yl)piperidine-1-carbonyl]indol-1-yl]-(2-fluorophenyl)methanone (CID 174547349) is [6-chloro-3-[4-(2,3-dihydrobenzimidazol-1-yl)piperidine-1-carbonyl]indol-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [6-chloro-3-[4-(2,3-dihydrobenzimidazol-1-yl)piperidine-1-carbonyl]indol-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [6-chloro-3-[4-(2,3-dihydrobenzimidazol-1-yl)piperidine-1-carbonyl]indol-1-yl]-(2-fluorophenyl)methanone is O=C(c1cn(C(=O)c2ccccc2F)c2cc(Cl)ccc12)N1CCC(N2CNc3ccccc32)CC1.
What is the InChIKey of [6-chloro-3-[4-(2,3-dihydrobenzimidazol-1-yl)piperidine-1-carbonyl]indol-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is SAIOQSOPFWMLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClFN4O2/c29-18-9-10-20-22(16-33(26(20)15-18)28(36)21-5-1-2-6-23(21)30)27(35)32-13-11-19(12-14-32)34-17-31-24-7-3-4-8-25(24)34/h1-10,15-16,19,31H,11-14,17H2.
What are the key properties of [6-chloro-3-[4-(2,3-dihydrobenzimidazol-1-yl)piperidine-1-carbonyl]indol-1-yl]-(2-fluorophenyl)methanone?
[6-chloro-3-[4-(2,3-dihydrobenzimidazol-1-yl)piperidine-1-carbonyl]indol-1-yl]-(2-fluorophenyl)methanone has a molecular weight of 502.98 g/mol, XLogP of 5.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-3-[4-(2,3-dihydrobenzimidazol-1-yl)piperidine-1-carbonyl]indol-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 174547349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).