2-cyclopropyl-7-hydroxy-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide

C16H20N4O2 — CID 46190865

IUPAC2-cyclopropyl-7-hydroxy-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide
SMILESO=C(N[C@H]1CCCNC1)c1ccc(O)c2[nH]c(C3CC3)nc12
InChIInChI=1S/C16H20N4O2/c21-12-6-5-11(16(22)18-10-2-1-7-17-8-10)13-14(12)20-15(19-13)9-3-4-9/h5-6,9-10,17,21H,1-4,7-8H2,(H,18,22)(H,19,20)/t10-/m0/s1
InChIKeyVLDJPBYBKMFSBJ-JTQLQIEISA-N
MW300.36 g/mol
LogP1.63
Rot. Bonds3

About 2-cyclopropyl-7-hydroxy-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide

2-cyclopropyl-7-hydroxy-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide (PubChem CID 46190865) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-cyclopropyl-7-hydroxy-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-7-hydroxy-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide
PubChem CID46190865
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-cyclopropyl-7-hydroxy-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide
SMILESO=C(N[C@H]1CCCNC1)c1ccc(O)c2[nH]c(C3CC3)nc12
InChIInChI=1S/C16H20N4O2/c21-12-6-5-11(16(22)18-10-2-1-7-17-8-10)13-14(12)20-15(19-13)9-3-4-9/h5-6,9-10,17,21H,1-4,7-8H2,(H,18,22)(H,19,20)/t10-/m0/s1
InChIKeyVLDJPBYBKMFSBJ-JTQLQIEISA-N
XLogP1.63
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-7-hydroxy-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-cyclopropyl-7-hydroxy-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide (CID 46190865) is 2-cyclopropyl-7-hydroxy-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-7-hydroxy-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-7-hydroxy-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide is O=C(N[C@H]1CCCNC1)c1ccc(O)c2[nH]c(C3CC3)nc12.
What is the InChIKey of 2-cyclopropyl-7-hydroxy-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide?
The InChIKey is VLDJPBYBKMFSBJ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H20N4O2/c21-12-6-5-11(16(22)18-10-2-1-7-17-8-10)13-14(12)20-15(19-13)9-3-4-9/h5-6,9-10,17,21H,1-4,7-8H2,(H,18,22)(H,19,20)/t10-/m0/s1.
What are the key properties of 2-cyclopropyl-7-hydroxy-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide?
2-cyclopropyl-7-hydroxy-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.63, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-7-hydroxy-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 46190865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).