(2S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(3-fluoro-3-methylcyclobutyl)propanamide

C19H23ClFN3O — CID 159583952

IUPAC(2S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(3-fluoro-3-methylcyclobutyl)propanamide
SMILESC[C@H](C(=O)Nc1nc2ccc(Cl)cc2n1C1CCC1)C1CC(C)(F)C1
InChIInChI=1S/C19H23ClFN3O/c1-11(12-9-19(2,21)10-12)17(25)23-18-22-15-7-6-13(20)8-16(15)24(18)14-4-3-5-14/h6-8,11-12,14H,3-5,9-10H2,1-2H3,(H,22,23,25)/t11-,12?,19?/m0/s1
InChIKeyQNLBKVXNXNHJPH-UHOVJUMYSA-N
MW363.86 g/mol
LogP5.13
Rot. Bonds4

About (2S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(3-fluoro-3-methylcyclobutyl)propanamide

(2S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(3-fluoro-3-methylcyclobutyl)propanamide (PubChem CID 159583952) has the molecular formula C19H23ClFN3O and a molecular weight of 363.86 g/mol. Its IUPAC name is (2S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(3-fluoro-3-methylcyclobutyl)propanamide.

Molecular Properties

Compound Name(2S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(3-fluoro-3-methylcyclobutyl)propanamide
PubChem CID159583952
Molecular FormulaC19H23ClFN3O
Molecular Weight363.86 g/mol
Exact Mass363.15
IUPAC Name(2S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(3-fluoro-3-methylcyclobutyl)propanamide
SMILESC[C@H](C(=O)Nc1nc2ccc(Cl)cc2n1C1CCC1)C1CC(C)(F)C1
InChIInChI=1S/C19H23ClFN3O/c1-11(12-9-19(2,21)10-12)17(25)23-18-22-15-7-6-13(20)8-16(15)24(18)14-4-3-5-14/h6-8,11-12,14H,3-5,9-10H2,1-2H3,(H,22,23,25)/t11-,12?,19?/m0/s1
InChIKeyQNLBKVXNXNHJPH-UHOVJUMYSA-N
XLogP5.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.86
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3,3-trifluoro-2-methylpropanamide
CID 134560811
6-chloro-2-(1-chloroethyl)-1-cyclobutylbenzimidazole
CID 115471442
(1S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxamide
CID 118941523
(2S)-N-(6-butan-2-yl-1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylbutanamide
CID 146420832
(2S)-N-(1-cyclobutyl-6-ethynylbenzimidazol-2-yl)-2,3,3-trimethylbutanamide
CID 139303961
N-[1-(3,3-difluorocyclobutyl)-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,3,3-trimethylbutanamide
CID 139487211
6-chloro-2-(1-chloroethyl)-1-cyclopropylbenzimidazole
CID 115470825
1-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylethanamine
CID 113316669
N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-2-ethyl-3,3-dimethylbutanamide
CID 146264731
2-(6-chloro-1-cyclopentylbenzimidazol-2-yl)sulfanylacetic acid
CID 115470231
6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole
CID 115470830
N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,2-dimethylpropanamide
CID 118938286

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(3-fluoro-3-methylcyclobutyl)propanamide?
The IUPAC name of (2S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(3-fluoro-3-methylcyclobutyl)propanamide (CID 159583952) is (2S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(3-fluoro-3-methylcyclobutyl)propanamide.
What is the SMILES notation for (2S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(3-fluoro-3-methylcyclobutyl)propanamide?
The canonical SMILES for (2S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(3-fluoro-3-methylcyclobutyl)propanamide is C[C@H](C(=O)Nc1nc2ccc(Cl)cc2n1C1CCC1)C1CC(C)(F)C1.
What is the InChIKey of (2S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(3-fluoro-3-methylcyclobutyl)propanamide?
The InChIKey is QNLBKVXNXNHJPH-UHOVJUMYSA-N. The full InChI is InChI=1S/C19H23ClFN3O/c1-11(12-9-19(2,21)10-12)17(25)23-18-22-15-7-6-13(20)8-16(15)24(18)14-4-3-5-14/h6-8,11-12,14H,3-5,9-10H2,1-2H3,(H,22,23,25)/t11-,12?,19?/m0/s1.
What are the key properties of (2S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(3-fluoro-3-methylcyclobutyl)propanamide?
(2S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(3-fluoro-3-methylcyclobutyl)propanamide has a molecular weight of 363.86 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(6-chloro-1-cyclobutylbenzimidazol-2-yl)-2-(3-fluoro-3-methylcyclobutyl)propanamide is sourced from PubChem (CID 159583952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).