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

C16H16N4O2 — CID 71936234

IUPACN-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccc2nc(C3CCCO3)[nH]c2c1)c1ccc[nH]1
InChIInChI=1S/C16H16N4O2/c21-16(12-3-1-7-17-12)18-10-5-6-11-13(9-10)20-15(19-11)14-4-2-8-22-14/h1,3,5-7,9,14,17H,2,4,8H2,(H,18,21)(H,19,20)
InChIKeyISJJXIDXWGIHFL-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.99
Rot. Bonds3

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

N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1H-pyrrole-2-carboxamide (PubChem CID 71936234) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1H-pyrrole-2-carboxamide
PubChem CID71936234
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccc2nc(C3CCCO3)[nH]c2c1)c1ccc[nH]1
InChIInChI=1S/C16H16N4O2/c21-16(12-3-1-7-17-12)18-10-5-6-11-13(9-10)20-15(19-11)14-4-2-8-22-14/h1,3,5-7,9,14,17H,2,4,8H2,(H,18,21)(H,19,20)
InChIKeyISJJXIDXWGIHFL-UHFFFAOYSA-N
XLogP2.99
TPSA82.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-4-(trifluoromethoxy)benzamide
CID 47825987
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride
CID 119860353
2-amino-2-(oxan-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide;dihydrochloride
CID 120798817
(2S)-2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]butanamide
CID 119860394
3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-benzofuran-2-carboxamide
CID 47825946
(2S)-2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]butanamide;dihydrochloride
CID 119860393
2-methyl-3-(methylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide
CID 119860398
2-(cyclopropylmethylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 119860392
3-(1,3-dioxoisoindol-2-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide
CID 47825937
(2R)-N-[2-[(2S)-oxolan-2-yl]-3H-benzimidazol-5-yl]-2-thiophen-2-ylpropanamide
CID 124506480
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 47825629
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119860413

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1H-pyrrole-2-carboxamide (CID 71936234) is N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1H-pyrrole-2-carboxamide is O=C(Nc1ccc2nc(C3CCCO3)[nH]c2c1)c1ccc[nH]1.
What is the InChIKey of N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is ISJJXIDXWGIHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c21-16(12-3-1-7-17-12)18-10-5-6-11-13(9-10)20-15(19-11)14-4-2-8-22-14/h1,3,5-7,9,14,17H,2,4,8H2,(H,18,21)(H,19,20).
What are the key properties of N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1H-pyrrole-2-carboxamide?
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.99, 3 rotatable bonds, 3 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]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 71936234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).