2-(2-fluorophenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-benzimidazole-4-carboxamide

C24H22FN5O2 — CID 58278746

IUPAC2-(2-fluorophenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1cccc(CN2CCOCC2)n1)c1cccc2[nH]c(-c3ccccc3F)nc12
InChIInChI=1S/C24H22FN5O2/c25-19-8-2-1-6-17(19)23-27-20-9-4-7-18(22(20)29-23)24(31)28-21-10-3-5-16(26-21)15-30-11-13-32-14-12-30/h1-10H,11-15H2,(H,27,29)(H,26,28,31)
InChIKeyYVZIFPUOMLMXQE-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.85
Rot. Bonds5

About 2-(2-fluorophenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-benzimidazole-4-carboxamide

2-(2-fluorophenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-benzimidazole-4-carboxamide (PubChem CID 58278746) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-benzimidazole-4-carboxamide
PubChem CID58278746
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name2-(2-fluorophenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1cccc(CN2CCOCC2)n1)c1cccc2[nH]c(-c3ccccc3F)nc12
InChIInChI=1S/C24H22FN5O2/c25-19-8-2-1-6-17(19)23-27-20-9-4-7-18(22(20)29-23)24(31)28-21-10-3-5-16(26-21)15-30-11-13-32-14-12-30/h1-10H,11-15H2,(H,27,29)(H,26,28,31)
InChIKeyYVZIFPUOMLMXQE-UHFFFAOYSA-N
XLogP3.85
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(piperazin-1-ylmethyl)-2-pyridinyl]-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 58279080
2-(2-methyl-3-pyridinyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1H-benzimidazole-4-carboxamide
CID 58279154
2-[3,5-difluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58279324
2-(4-chlorophenyl)-N-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-benzimidazole-4-carboxamide
CID 143922333
2-[3-chloro-5-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58278902
2-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58278992
2-[2-(difluoromethyl)-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58279447
[2-(2-fluorophenyl)-1H-benzimidazol-4-yl]-[3-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 71232088
tert-butyl N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamate
CID 67025080
2-[2-(difluoromethyl)-4-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58278843
2-[2-(difluoromethyl)-4-pyrrolidin-1-ylphenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58279318
2-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58278728

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-benzimidazole-4-carboxamide (CID 58278746) is 2-(2-fluorophenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-benzimidazole-4-carboxamide is O=C(Nc1cccc(CN2CCOCC2)n1)c1cccc2[nH]c(-c3ccccc3F)nc12.
What is the InChIKey of 2-(2-fluorophenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is YVZIFPUOMLMXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c25-19-8-2-1-6-17(19)23-27-20-9-4-7-18(22(20)29-23)24(31)28-21-10-3-5-16(26-21)15-30-11-13-32-14-12-30/h1-10H,11-15H2,(H,27,29)(H,26,28,31).
What are the key properties of 2-(2-fluorophenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-benzimidazole-4-carboxamide?
2-(2-fluorophenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 431.47 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 58278746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).