5-bromo-N-[3-(2-pyridin-3-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide

C23H21BrN4OS — CID 175370586

IUPAC5-bromo-N-[3-(2-pyridin-3-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide
SMILESO=C(NC1CCCC(n2c(-c3cccnc3)nc3ccccc32)C1)c1ccc(Br)s1
InChIInChI=1S/C23H21BrN4OS/c24-21-11-10-20(30-21)23(29)26-16-6-3-7-17(13-16)28-19-9-2-1-8-18(19)27-22(28)15-5-4-12-25-14-15/h1-2,4-5,8-12,14,16-17H,3,6-7,13H2,(H,26,29)
InChIKeyNMPDCZKSNVOMRR-UHFFFAOYSA-N
MW481.42 g/mol
LogP5.84
Rot. Bonds4

About 5-bromo-N-[3-(2-pyridin-3-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide

5-bromo-N-[3-(2-pyridin-3-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide (PubChem CID 175370586) has the molecular formula C23H21BrN4OS and a molecular weight of 481.42 g/mol. Its IUPAC name is 5-bromo-N-[3-(2-pyridin-3-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-(2-pyridin-3-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide
PubChem CID175370586
Molecular FormulaC23H21BrN4OS
Molecular Weight481.42 g/mol
Exact Mass480.06
IUPAC Name5-bromo-N-[3-(2-pyridin-3-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide
SMILESO=C(NC1CCCC(n2c(-c3cccnc3)nc3ccccc32)C1)c1ccc(Br)s1
InChIInChI=1S/C23H21BrN4OS/c24-21-11-10-20(30-21)23(29)26-16-6-3-7-17(13-16)28-19-9-2-1-8-18(19)27-22(28)15-5-4-12-25-14-15/h1-2,4-5,8-12,14,16-17H,3,6-7,13H2,(H,26,29)
InChIKeyNMPDCZKSNVOMRR-UHFFFAOYSA-N
XLogP5.84
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.42
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[3-(6-cyano-2-pyridin-2-ylimidazo[4,5-c]pyridin-3-yl)cyclohexyl]thiophene-2-carboxamide
CID 168885777
3-[(1R,3S)-3-[(5-bromothiophene-2-carbonyl)amino]cyclohexyl]-N,N-dimethyl-2-pyridin-2-ylimidazo[4,5-c]pyridine-6-carboxamide
CID 155574617
5-bromo-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(1,2,4-triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide
CID 168885363
5-bromo-N-[(1S,3R)-3-[6-(4-methyltriazol-2-yl)-2-pyridin-2-ylimidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide
CID 168886291
5-bromo-N-[(1S,3R)-3-[2-(3-fluoro-2-pyridinyl)-6-(triazol-1-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide
CID 168886016
5-methyl-N-[3-(5-propanoyl-2-thiophen-2-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;5-methyl-N-[3-(5-propanoyl-2-thiophen-3-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-3-ylbenzimidazole-5-carboxamide;1-[3-[(5-methylthiophene-2-carbonyl)amino]cyclohexyl]-2-pyridin-4-ylbenzimidazole-5-carboxamide
CID 167572389
5-bromo-N-[3-[2-(3-fluoro-2-pyridinyl)-6-(1,3,4-oxadiazol-2-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]thiophene-2-carboxamide
CID 168886041
5-chloro-N-[(1S,3R)-3-[2-(2-fluorophenyl)-6-pyridin-3-ylimidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
CID 168885874
2-bromo-N-[3-(5-propanoyl-2-pyridin-2-ylbenzimidazol-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide
CID 164935726
5-chloro-N-[3-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-1-yl]cyclohexyl]-1,3-thiazole-2-carboxamide
CID 168885713
6-bromo-1-cyclopropyl-2-pyridin-3-ylbenzimidazole
CID 121458663
N-[(1R,3S)-3-[2-(5-hydroxy-2-pyridinyl)-5-propanoylbenzimidazol-1-yl]cyclohexyl]-5-methylthiophene-2-carboxamide
CID 167574292

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(2-pyridin-3-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-(2-pyridin-3-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide (CID 175370586) is 5-bromo-N-[3-(2-pyridin-3-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-(2-pyridin-3-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-(2-pyridin-3-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide is O=C(NC1CCCC(n2c(-c3cccnc3)nc3ccccc32)C1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[3-(2-pyridin-3-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide?
The InChIKey is NMPDCZKSNVOMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN4OS/c24-21-11-10-20(30-21)23(29)26-16-6-3-7-17(13-16)28-19-9-2-1-8-18(19)27-22(28)15-5-4-12-25-14-15/h1-2,4-5,8-12,14,16-17H,3,6-7,13H2,(H,26,29).
What are the key properties of 5-bromo-N-[3-(2-pyridin-3-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide?
5-bromo-N-[3-(2-pyridin-3-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide has a molecular weight of 481.42 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(2-pyridin-3-ylbenzimidazol-1-yl)cyclohexyl]thiophene-2-carboxamide is sourced from PubChem (CID 175370586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).