2-chloro-4-fluoro-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide

C19H18ClFN4O2 — CID 47799919

IUPAC2-chloro-4-fluoro-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide
SMILESO=C(Nc1ccc2nc(CN3CCOCC3)[nH]c2c1)c1ccc(F)cc1Cl
InChIInChI=1S/C19H18ClFN4O2/c20-15-9-12(21)1-3-14(15)19(26)22-13-2-4-16-17(10-13)24-18(23-16)11-25-5-7-27-8-6-25/h1-4,9-10H,5-8,11H2,(H,22,26)(H,23,24)
InChIKeyVZEBACRLMYWSMJ-UHFFFAOYSA-N
MW388.83 g/mol
LogP3.44
Rot. Bonds4

About 2-chloro-4-fluoro-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide

2-chloro-4-fluoro-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide (PubChem CID 47799919) has the molecular formula C19H18ClFN4O2 and a molecular weight of 388.83 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide
PubChem CID47799919
Molecular FormulaC19H18ClFN4O2
Molecular Weight388.83 g/mol
Exact Mass388.11
IUPAC Name2-chloro-4-fluoro-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide
SMILESO=C(Nc1ccc2nc(CN3CCOCC3)[nH]c2c1)c1ccc(F)cc1Cl
InChIInChI=1S/C19H18ClFN4O2/c20-15-9-12(21)1-3-14(15)19(26)22-13-2-4-16-17(10-13)24-18(23-16)11-25-5-7-27-8-6-25/h1-4,9-10H,5-8,11H2,(H,22,26)(H,23,24)
InChIKeyVZEBACRLMYWSMJ-UHFFFAOYSA-N
XLogP3.44
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.83
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]pyridine-4-carboxamide
CID 47838444
N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-3,5-bis(trifluoromethyl)benzamide
CID 60604198
N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 47838565
1-butan-2-yl-5-methyl-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]pyrazole-4-carboxamide
CID 119047356
1-[(2R)-butan-2-yl]-5-methyl-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]pyrazole-4-carboxamide
CID 124743032
N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 86868473
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide
CID 154836812
2-[[[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]amino]methylidene]propanedinitrile
CID 168543114
2,4-difluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 108731005
N-[2-(aminomethyl)-3H-benzimidazol-5-yl]-3-fluoro-4-morpholin-4-ylbenzamide
CID 166261890
(3R)-1-benzyl-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-5-oxopyrrolidine-3-carboxamide
CID 95344166
2,5-difluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 78802644

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide (CID 47799919) is 2-chloro-4-fluoro-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide is O=C(Nc1ccc2nc(CN3CCOCC3)[nH]c2c1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide?
The InChIKey is VZEBACRLMYWSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4O2/c20-15-9-12(21)1-3-14(15)19(26)22-13-2-4-16-17(10-13)24-18(23-16)11-25-5-7-27-8-6-25/h1-4,9-10H,5-8,11H2,(H,22,26)(H,23,24).
What are the key properties of 2-chloro-4-fluoro-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide?
2-chloro-4-fluoro-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide has a molecular weight of 388.83 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]benzamide is sourced from PubChem (CID 47799919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).