N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C22H23N3O2 — CID 47825629

IUPACN-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESO=C(Nc1ccc2nc(C3CCCO3)[nH]c2c1)C1CCCc2ccccc21
InChIInChI=1S/C22H23N3O2/c26-22(17-8-3-6-14-5-1-2-7-16(14)17)23-15-10-11-18-19(13-15)25-21(24-18)20-9-4-12-27-20/h1-2,5,7,10-11,13,17,20H,3-4,6,8-9,12H2,(H,23,26)(H,24,25)
InChIKeyFNYVCMYENSZNRW-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.47
Rot. Bonds3

About N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 47825629) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID47825629
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESO=C(Nc1ccc2nc(C3CCCO3)[nH]c2c1)C1CCCc2ccccc21
InChIInChI=1S/C22H23N3O2/c26-22(17-8-3-6-14-5-1-2-7-16(14)17)23-15-10-11-18-19(13-15)25-21(24-18)20-9-4-12-27-20/h1-2,5,7,10-11,13,17,20H,3-4,6,8-9,12H2,(H,23,26)(H,24,25)
InChIKeyFNYVCMYENSZNRW-UHFFFAOYSA-N
XLogP4.47
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride
CID 119860353
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1H-pyrrole-2-carboxamide
CID 71936234
(2R,3S)-2-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]morpholine-3-carboxamide;dihydrochloride
CID 120939827
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
2-(cyclopropylmethylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 119860392
N-(3-iodo-2H-indazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 86710936
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
3-(1,3-dioxoisoindol-2-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide
CID 47825937
3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-benzofuran-2-carboxamide
CID 47825946
(2R)-N-[2-[(2S)-oxolan-2-yl]-3H-benzimidazol-5-yl]-2-thiophen-2-ylpropanamide
CID 124506480

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 47825629) is N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is O=C(Nc1ccc2nc(C3CCCO3)[nH]c2c1)C1CCCc2ccccc21.
What is the InChIKey of N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is FNYVCMYENSZNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-22(17-8-3-6-14-5-1-2-7-16(14)17)23-15-10-11-18-19(13-15)25-21(24-18)20-9-4-12-27-20/h1-2,5,7,10-11,13,17,20H,3-4,6,8-9,12H2,(H,23,26)(H,24,25).
What are the key properties of N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 47825629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).