2-(5,6-dimethylbenzimidazol-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide

C19H20FN3O — CID 51865491

IUPAC2-(5,6-dimethylbenzimidazol-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
SMILESCc1cc2ncn(CC(=O)N[C@@H](C)c3ccc(F)cc3)c2cc1C
InChIInChI=1S/C19H20FN3O/c1-12-8-17-18(9-13(12)2)23(11-21-17)10-19(24)22-14(3)15-4-6-16(20)7-5-15/h4-9,11,14H,10H2,1-3H3,(H,22,24)/t14-/m0/s1
InChIKeySLDLPCKISCYORQ-AWEZNQCLSA-N
MW325.39 g/mol
LogP3.67
Rot. Bonds4

About 2-(5,6-dimethylbenzimidazol-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide

2-(5,6-dimethylbenzimidazol-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 51865491) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-(5,6-dimethylbenzimidazol-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5,6-dimethylbenzimidazol-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
PubChem CID51865491
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name2-(5,6-dimethylbenzimidazol-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
SMILESCc1cc2ncn(CC(=O)N[C@@H](C)c3ccc(F)cc3)c2cc1C
InChIInChI=1S/C19H20FN3O/c1-12-8-17-18(9-13(12)2)23(11-21-17)10-19(24)22-14(3)15-4-6-16(20)7-5-15/h4-9,11,14H,10H2,1-3H3,(H,22,24)/t14-/m0/s1
InChIKeySLDLPCKISCYORQ-AWEZNQCLSA-N
XLogP3.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5,6-dimethylbenzimidazol-1-yl)-N-propan-2-ylacetamide
CID 17028490
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 42952638
N-tert-butyl-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
CID 17028491
2-[[2-(4,5-dimethylimidazol-1-yl)acetyl]amino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 95900120
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)acetamide
CID 46585768
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 55443771
2-(5,6-difluorobenzimidazol-1-yl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 31808023
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 17458089
2-(5,6-dimethylbenzimidazol-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 729287
2-(5,6-dimethylbenzimidazol-1-yl)-N-(3-methylphenyl)acetamide
CID 17028500
N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetamide
CID 95060738
2-(benzotriazol-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 8025586

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylbenzimidazol-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(5,6-dimethylbenzimidazol-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide (CID 51865491) is 2-(5,6-dimethylbenzimidazol-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(5,6-dimethylbenzimidazol-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(5,6-dimethylbenzimidazol-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide is Cc1cc2ncn(CC(=O)N[C@@H](C)c3ccc(F)cc3)c2cc1C.
What is the InChIKey of 2-(5,6-dimethylbenzimidazol-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is SLDLPCKISCYORQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20FN3O/c1-12-8-17-18(9-13(12)2)23(11-21-17)10-19(24)22-14(3)15-4-6-16(20)7-5-15/h4-9,11,14H,10H2,1-3H3,(H,22,24)/t14-/m0/s1.
What are the key properties of 2-(5,6-dimethylbenzimidazol-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
2-(5,6-dimethylbenzimidazol-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 325.39 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylbenzimidazol-1-yl)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 51865491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).