3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-benzofuran-2-carboxamide

C21H19N3O3 — CID 47825946

IUPAC3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc3nc(C4CCCO4)[nH]c3c2)oc2ccccc12
InChIInChI=1S/C21H19N3O3/c1-12-14-5-2-3-6-17(14)27-19(12)21(25)22-13-8-9-15-16(11-13)24-20(23-15)18-7-4-10-26-18/h2-3,5-6,8-9,11,18H,4,7,10H2,1H3,(H,22,25)(H,23,24)
InChIKeyUIPMCRHCBCLRNL-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.72
Rot. Bonds3

About 3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-benzofuran-2-carboxamide

3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-benzofuran-2-carboxamide (PubChem CID 47825946) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-benzofuran-2-carboxamide
PubChem CID47825946
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc3nc(C4CCCO4)[nH]c3c2)oc2ccccc12
InChIInChI=1S/C21H19N3O3/c1-12-14-5-2-3-6-17(14)27-19(12)21(25)22-13-8-9-15-16(11-13)24-20(23-15)18-7-4-10-26-18/h2-3,5-6,8-9,11,18H,4,7,10H2,1H3,(H,22,25)(H,23,24)
InChIKeyUIPMCRHCBCLRNL-UHFFFAOYSA-N
XLogP4.72
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1H-pyrrole-2-carboxamide
CID 71936234
2-(cyclopropylmethylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 119860392
(2S)-2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]butanamide
CID 119860394
2-methyl-3-(methylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide
CID 119860398
(2S)-2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]butanamide;dihydrochloride
CID 119860393
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride
CID 119860353
2-(2-methoxyphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 47825848
2-amino-2-(oxan-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide;dihydrochloride
CID 120798817
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-4-(trifluoromethoxy)benzamide
CID 47825987
2-amino-2-(4-methylphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 120669855
3-(1,3-dioxoisoindol-2-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide
CID 47825937
3-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-benzofuran-2-carboxamide
CID 27160886

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-benzofuran-2-carboxamide (CID 47825946) is 3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc3nc(C4CCCO4)[nH]c3c2)oc2ccccc12.
What is the InChIKey of 3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-benzofuran-2-carboxamide?
The InChIKey is UIPMCRHCBCLRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-12-14-5-2-3-6-17(14)27-19(12)21(25)22-13-8-9-15-16(11-13)24-20(23-15)18-7-4-10-26-18/h2-3,5-6,8-9,11,18H,4,7,10H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-benzofuran-2-carboxamide?
3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-benzofuran-2-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 4.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 47825946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).