1-(hydroxymethyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide

C12H13N3O3 — CID 115182055

IUPAC1-(hydroxymethyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C1(CO)CC1
InChIInChI=1S/C12H13N3O3/c16-6-12(3-4-12)10(17)13-7-1-2-8-9(5-7)15-11(18)14-8/h1-2,5,16H,3-4,6H2,(H,13,17)(H2,14,15,18)
InChIKeyBWWRMHYDPQUSME-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.57
Rot. Bonds3

About 1-(hydroxymethyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide

1-(hydroxymethyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 115182055) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 1-(hydroxymethyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(hydroxymethyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide
PubChem CID115182055
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name1-(hydroxymethyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C1(CO)CC1
InChIInChI=1S/C12H13N3O3/c16-6-12(3-4-12)10(17)13-7-1-2-8-9(5-7)15-11(18)14-8/h1-2,5,16H,3-4,6H2,(H,13,17)(H2,14,15,18)
InChIKeyBWWRMHYDPQUSME-UHFFFAOYSA-N
XLogP0.57
TPSA97.98 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(hydroxymethyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide (CID 115182055) is 1-(hydroxymethyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(hydroxymethyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(hydroxymethyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide is O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C1(CO)CC1.
What is the InChIKey of 1-(hydroxymethyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is BWWRMHYDPQUSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c16-6-12(3-4-12)10(17)13-7-1-2-8-9(5-7)15-11(18)14-8/h1-2,5,16H,3-4,6H2,(H,13,17)(H2,14,15,18).
What are the key properties of 1-(hydroxymethyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide?
1-(hydroxymethyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 247.25 g/mol, XLogP of 0.57, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115182055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).