4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-3-fluoro-N-(3-morpholin-4-ylpropyl)benzamide

C22H24ClFN4O2 — CID 21101044

IUPAC4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-3-fluoro-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCc1cc2[nH]c(-c3ccc(C(=O)NCCCN4CCOCC4)cc3F)nc2cc1Cl
InChIInChI=1S/C22H24ClFN4O2/c1-14-11-19-20(13-17(14)23)27-21(26-19)16-4-3-15(12-18(16)24)22(29)25-5-2-6-28-7-9-30-10-8-28/h3-4,11-13H,2,5-10H2,1H3,(H,25,29)(H,26,27)
InChIKeyYFHYUCOBFOTKPB-UHFFFAOYSA-N
MW430.91 g/mol
LogP3.78
Rot. Bonds6

About 4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-3-fluoro-N-(3-morpholin-4-ylpropyl)benzamide

4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-3-fluoro-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 21101044) has the molecular formula C22H24ClFN4O2 and a molecular weight of 430.91 g/mol. Its IUPAC name is 4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-3-fluoro-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-3-fluoro-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID21101044
Molecular FormulaC22H24ClFN4O2
Molecular Weight430.91 g/mol
Exact Mass430.16
IUPAC Name4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-3-fluoro-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCc1cc2[nH]c(-c3ccc(C(=O)NCCCN4CCOCC4)cc3F)nc2cc1Cl
InChIInChI=1S/C22H24ClFN4O2/c1-14-11-19-20(13-17(14)23)27-21(26-19)16-4-3-15(12-18(16)24)22(29)25-5-2-6-28-7-9-30-10-8-28/h3-4,11-13H,2,5-10H2,1H3,(H,25,29)(H,26,27)
InChIKeyYFHYUCOBFOTKPB-UHFFFAOYSA-N
XLogP3.78
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.91
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 21100937
3-methyl-N-(3-morpholin-4-ylpropyl)-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide
CID 21101111
4-(1H-benzo[f]benzimidazol-2-yl)-3-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 21100801
3,4-difluoro-N-(4-morpholin-4-ylbutyl)benzamide
CID 51082239
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
4-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 21100862
2-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazole-5-carboxamide
CID 100786873
2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide
CID 110765508
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3,4-difluorobenzamide
CID 42273607
3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 3672547
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-3-fluoro-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-3-fluoro-N-(3-morpholin-4-ylpropyl)benzamide (CID 21101044) is 4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-3-fluoro-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-3-fluoro-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-3-fluoro-N-(3-morpholin-4-ylpropyl)benzamide is Cc1cc2[nH]c(-c3ccc(C(=O)NCCCN4CCOCC4)cc3F)nc2cc1Cl.
What is the InChIKey of 4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-3-fluoro-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is YFHYUCOBFOTKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN4O2/c1-14-11-19-20(13-17(14)23)27-21(26-19)16-4-3-15(12-18(16)24)22(29)25-5-2-6-28-7-9-30-10-8-28/h3-4,11-13H,2,5-10H2,1H3,(H,25,29)(H,26,27).
What are the key properties of 4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-3-fluoro-N-(3-morpholin-4-ylpropyl)benzamide?
4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-3-fluoro-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 430.91 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-3-fluoro-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 21101044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).