2-(1H-benzimidazol-2-ylmethylamino)-4-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid

C17H13N5O4 — CID 137206092

IUPAC2-(1H-benzimidazol-2-ylmethylamino)-4-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1c(-c2ccco2)nc(NCc2nc3ccccc3[nH]2)[nH]c1=O
InChIInChI=1S/C17H13N5O4/c23-15-13(16(24)25)14(11-6-3-7-26-11)21-17(22-15)18-8-12-19-9-4-1-2-5-10(9)20-12/h1-7H,8H2,(H,19,20)(H,24,25)(H2,18,21,22,23)
InChIKeyGCHONIZZOCUZPS-UHFFFAOYSA-N
MW351.32 g/mol
LogP2.22
Rot. Bonds5

About 2-(1H-benzimidazol-2-ylmethylamino)-4-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid

2-(1H-benzimidazol-2-ylmethylamino)-4-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 137206092) has the molecular formula C17H13N5O4 and a molecular weight of 351.32 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylmethylamino)-4-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylmethylamino)-4-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID137206092
Molecular FormulaC17H13N5O4
Molecular Weight351.32 g/mol
Exact Mass351.10
IUPAC Name2-(1H-benzimidazol-2-ylmethylamino)-4-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1c(-c2ccco2)nc(NCc2nc3ccccc3[nH]2)[nH]c1=O
InChIInChI=1S/C17H13N5O4/c23-15-13(16(24)25)14(11-6-3-7-26-11)21-17(22-15)18-8-12-19-9-4-1-2-5-10(9)20-12/h1-7H,8H2,(H,19,20)(H,24,25)(H2,18,21,22,23)
InChIKeyGCHONIZZOCUZPS-UHFFFAOYSA-N
XLogP2.22
TPSA136.90 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 52.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1H-benzimidazol-2-ylmethylamino)-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
CID 137206090
N-(1H-benzimidazol-2-ylmethyl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 18131972
2-(1H-benzimidazol-2-ylmethylamino)acetic acid
CID 1081236
5-[(1H-benzimidazol-2-ylmethylamino)methyl]furan-2-carboxylic acid
CID 78929695
N-(1H-benzimidazol-2-ylmethyl)-2-methylfuran-3-carboxamide
CID 5297506
N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide
CID 58957158
2-(furan-2-yl)-1H-benzimidazole;hydrochloride
CID 163330035
N-(1H-benzimidazol-2-ylmethyl)-6-chloro-2-oxo-4-phenyl-1H-quinoline-3-carboxamide
CID 73212074
N-[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 78769855
N-(1H-benzimidazol-2-ylmethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 71904706
N-(1H-benzimidazol-2-ylmethyl)pyridin-2-amine
CID 150607804
N-[2-[(4-oxo-3H-quinazolin-2-yl)amino]ethyl]furan-2-carboxamide
CID 136666096

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylmethylamino)-4-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(1H-benzimidazol-2-ylmethylamino)-4-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 137206092) is 2-(1H-benzimidazol-2-ylmethylamino)-4-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylmethylamino)-4-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(1H-benzimidazol-2-ylmethylamino)-4-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid is O=C(O)c1c(-c2ccco2)nc(NCc2nc3ccccc3[nH]2)[nH]c1=O.
What is the InChIKey of 2-(1H-benzimidazol-2-ylmethylamino)-4-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is GCHONIZZOCUZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O4/c23-15-13(16(24)25)14(11-6-3-7-26-11)21-17(22-15)18-8-12-19-9-4-1-2-5-10(9)20-12/h1-7H,8H2,(H,19,20)(H,24,25)(H2,18,21,22,23).
What are the key properties of 2-(1H-benzimidazol-2-ylmethylamino)-4-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-(1H-benzimidazol-2-ylmethylamino)-4-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 351.32 g/mol, XLogP of 2.22, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylmethylamino)-4-(furan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 137206092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).