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

C19H20N4O2 — CID 46190934

IUPAC7-hydroxy-2-phenyl-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide
SMILESO=C(N[C@H]1CCCNC1)c1ccc(O)c2[nH]c(-c3ccccc3)nc12
InChIInChI=1S/C19H20N4O2/c24-15-9-8-14(19(25)21-13-7-4-10-20-11-13)16-17(15)23-18(22-16)12-5-2-1-3-6-12/h1-3,5-6,8-9,13,20,24H,4,7,10-11H2,(H,21,25)(H,22,23)/t13-/m0/s1
InChIKeyHCOYOZKRGRMGIL-ZDUSSCGKSA-N
MW336.39 g/mol
LogP2.42
Rot. Bonds3

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

7-hydroxy-2-phenyl-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide (PubChem CID 46190934) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 7-hydroxy-2-phenyl-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name7-hydroxy-2-phenyl-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide
PubChem CID46190934
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name7-hydroxy-2-phenyl-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide
SMILESO=C(N[C@H]1CCCNC1)c1ccc(O)c2[nH]c(-c3ccccc3)nc12
InChIInChI=1S/C19H20N4O2/c24-15-9-8-14(19(25)21-13-7-4-10-20-11-13)16-17(15)23-18(22-16)12-5-2-1-3-6-12/h1-3,5-6,8-9,13,20,24H,4,7,10-11H2,(H,21,25)(H,22,23)/t13-/m0/s1
InChIKeyHCOYOZKRGRMGIL-ZDUSSCGKSA-N
XLogP2.42
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-phenyl-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 7-hydroxy-2-phenyl-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide (CID 46190934) is 7-hydroxy-2-phenyl-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 7-hydroxy-2-phenyl-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 7-hydroxy-2-phenyl-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide is O=C(N[C@H]1CCCNC1)c1ccc(O)c2[nH]c(-c3ccccc3)nc12.
What is the InChIKey of 7-hydroxy-2-phenyl-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide?
The InChIKey is HCOYOZKRGRMGIL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-15-9-8-14(19(25)21-13-7-4-10-20-11-13)16-17(15)23-18(22-16)12-5-2-1-3-6-12/h1-3,5-6,8-9,13,20,24H,4,7,10-11H2,(H,21,25)(H,22,23)/t13-/m0/s1.
What are the key properties of 7-hydroxy-2-phenyl-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide?
7-hydroxy-2-phenyl-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 2.42, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-phenyl-N-[(3S)-piperidin-3-yl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 46190934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).