N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylpyrrolidine-3-carboxamide

C19H20N4O2 — CID 166238501

IUPACN-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylpyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc2[nH]c(=O)[nH]c2c1)C1(c2ccccc2)CCNC1
InChIInChI=1S/C19H20N4O2/c24-17(19(8-9-20-12-19)14-4-2-1-3-5-14)21-11-13-6-7-15-16(10-13)23-18(25)22-15/h1-7,10,20H,8-9,11-12H2,(H,21,24)(H2,22,23,25)
InChIKeySOWKMQVCMOOLQB-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.40
Rot. Bonds4

About N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylpyrrolidine-3-carboxamide

N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylpyrrolidine-3-carboxamide (PubChem CID 166238501) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylpyrrolidine-3-carboxamide
PubChem CID166238501
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylpyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc2[nH]c(=O)[nH]c2c1)C1(c2ccccc2)CCNC1
InChIInChI=1S/C19H20N4O2/c24-17(19(8-9-20-12-19)14-4-2-1-3-5-14)21-11-13-6-7-15-16(10-13)23-18(25)22-15/h1-7,10,20H,8-9,11-12H2,(H,21,24)(H2,22,23,25)
InChIKeySOWKMQVCMOOLQB-UHFFFAOYSA-N
XLogP1.40
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylpyrrolidine-3-carboxamide (CID 166238501) is N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylpyrrolidine-3-carboxamide is O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)C1(c2ccccc2)CCNC1.
What is the InChIKey of N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylpyrrolidine-3-carboxamide?
The InChIKey is SOWKMQVCMOOLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-17(19(8-9-20-12-19)14-4-2-1-3-5-14)21-11-13-6-7-15-16(10-13)23-18(25)22-15/h1-7,10,20H,8-9,11-12H2,(H,21,24)(H2,22,23,25).
What are the key properties of N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylpyrrolidine-3-carboxamide?
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylpyrrolidine-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 1.40, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 166238501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).