2,3-dimethyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-4H-furo[3,2-b]pyrrole-5-carboxamide

C23H21N5O2 — CID 167780142

IUPAC2,3-dimethyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-4H-furo[3,2-b]pyrrole-5-carboxamide
SMILESCc1oc2cc(C(=O)Nc3nc4ccccc4n3CCc3ccccn3)[nH]c2c1C
InChIInChI=1S/C23H21N5O2/c1-14-15(2)30-20-13-18(25-21(14)20)22(29)27-23-26-17-8-3-4-9-19(17)28(23)12-10-16-7-5-6-11-24-16/h3-9,11,13,25H,10,12H2,1-2H3,(H,26,27,29)
InChIKeyLOSNKTWMAJCBBM-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.62
Rot. Bonds5

About 2,3-dimethyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-4H-furo[3,2-b]pyrrole-5-carboxamide

2,3-dimethyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-4H-furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 167780142) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2,3-dimethyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-4H-furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-4H-furo[3,2-b]pyrrole-5-carboxamide
PubChem CID167780142
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name2,3-dimethyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-4H-furo[3,2-b]pyrrole-5-carboxamide
SMILESCc1oc2cc(C(=O)Nc3nc4ccccc4n3CCc3ccccn3)[nH]c2c1C
InChIInChI=1S/C23H21N5O2/c1-14-15(2)30-20-13-18(25-21(14)20)22(29)27-23-26-17-8-3-4-9-19(17)28(23)12-10-16-7-5-6-11-24-16/h3-9,11,13,25H,10,12H2,1-2H3,(H,26,27,29)
InChIKeyLOSNKTWMAJCBBM-UHFFFAOYSA-N
XLogP4.62
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrimidine-2-carboxamide
CID 167971405
5-bromo-4-methyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]thiophene-3-carboxamide
CID 167979091
N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 167991259
4-pyrazol-1-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide
CID 167795718
1-propan-2-yl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]triazole-4-carboxamide
CID 167815697
3,4-dibromo-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]thiophene-2-carboxamide
CID 167838423
6-(1,1-difluoroethyl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide
CID 167807665
4-(2,2-difluoroethoxy)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyridine-2-carboxamide
CID 167956341
3-amino-6-bromo-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrazine-2-carboxamide
CID 167796521
5-chloro-2-cyclopropyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]pyrimidine-4-carboxamide
CID 167806826
5-amino-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167821747
2-(2-methoxyphenyl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
CID 167793542

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-4H-furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-4H-furo[3,2-b]pyrrole-5-carboxamide (CID 167780142) is 2,3-dimethyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-4H-furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-4H-furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-4H-furo[3,2-b]pyrrole-5-carboxamide is Cc1oc2cc(C(=O)Nc3nc4ccccc4n3CCc3ccccn3)[nH]c2c1C.
What is the InChIKey of 2,3-dimethyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-4H-furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is LOSNKTWMAJCBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-14-15(2)30-20-13-18(25-21(14)20)22(29)27-23-26-17-8-3-4-9-19(17)28(23)12-10-16-7-5-6-11-24-16/h3-9,11,13,25H,10,12H2,1-2H3,(H,26,27,29).
What are the key properties of 2,3-dimethyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-4H-furo[3,2-b]pyrrole-5-carboxamide?
2,3-dimethyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-4H-furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-4H-furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 167780142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).