2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]-1H-benzimidazole-4-carboxylic acid

C17H20N4O3 — CID 68615893

IUPAC2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]-1H-benzimidazole-4-carboxylic acid
SMILESO=C(NC1CCN(C2CC2)CC1)c1nc2c(C(=O)O)cccc2[nH]1
InChIInChI=1S/C17H20N4O3/c22-16(18-10-6-8-21(9-7-10)11-4-5-11)15-19-13-3-1-2-12(17(23)24)14(13)20-15/h1-3,10-11H,4-9H2,(H,18,22)(H,19,20)(H,23,24)
InChIKeyGFEOVLJJMDQIDX-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.62
Rot. Bonds4

About 2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]-1H-benzimidazole-4-carboxylic acid

2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]-1H-benzimidazole-4-carboxylic acid (PubChem CID 68615893) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]-1H-benzimidazole-4-carboxylic acid
PubChem CID68615893
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]-1H-benzimidazole-4-carboxylic acid
SMILESO=C(NC1CCN(C2CC2)CC1)c1nc2c(C(=O)O)cccc2[nH]1
InChIInChI=1S/C17H20N4O3/c22-16(18-10-6-8-21(9-7-10)11-4-5-11)15-19-13-3-1-2-12(17(23)24)14(13)20-15/h1-3,10-11H,4-9H2,(H,18,22)(H,19,20)(H,23,24)
InChIKeyGFEOVLJJMDQIDX-UHFFFAOYSA-N
XLogP1.62
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]-1H-benzimidazole-4-carboxylic acid (CID 68615893) is 2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]-1H-benzimidazole-4-carboxylic acid is O=C(NC1CCN(C2CC2)CC1)c1nc2c(C(=O)O)cccc2[nH]1.
What is the InChIKey of 2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]-1H-benzimidazole-4-carboxylic acid?
The InChIKey is GFEOVLJJMDQIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-16(18-10-6-8-21(9-7-10)11-4-5-11)15-19-13-3-1-2-12(17(23)24)14(13)20-15/h1-3,10-11H,4-9H2,(H,18,22)(H,19,20)(H,23,24).
What are the key properties of 2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]-1H-benzimidazole-4-carboxylic acid?
2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]-1H-benzimidazole-4-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 68615893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).