(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)-N,N-diphenylpyrrolidine-1-carboxamide

C25H28N4O — CID 99799612

IUPAC(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)-N,N-diphenylpyrrolidine-1-carboxamide
SMILESCn1c([C@H]2CCCN2C(=O)N(c2ccccc2)c2ccccc2)nc2c1CCCC2
InChIInChI=1S/C25H28N4O/c1-27-22-16-9-8-15-21(22)26-24(27)23-17-10-18-28(23)25(30)29(19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-7,11-14,23H,8-10,15-18H2,1H3/t23-/m1/s1
InChIKeyMSTFZVRPUXKMLQ-HSZRJFAPSA-N
MW400.53 g/mol
LogP5.39
Rot. Bonds3

About (2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)-N,N-diphenylpyrrolidine-1-carboxamide

(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)-N,N-diphenylpyrrolidine-1-carboxamide (PubChem CID 99799612) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is (2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)-N,N-diphenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)-N,N-diphenylpyrrolidine-1-carboxamide
PubChem CID99799612
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)-N,N-diphenylpyrrolidine-1-carboxamide
SMILESCn1c([C@H]2CCCN2C(=O)N(c2ccccc2)c2ccccc2)nc2c1CCCC2
InChIInChI=1S/C25H28N4O/c1-27-22-16-9-8-15-21(22)26-24(27)23-17-10-18-28(23)25(30)29(19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-7,11-14,23H,8-10,15-18H2,1H3/t23-/m1/s1
InChIKeyMSTFZVRPUXKMLQ-HSZRJFAPSA-N
XLogP5.39
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.53
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)-N,N-diphenylpyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)-N,N-diphenylpyrrolidine-1-carboxamide (CID 99799612) is (2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)-N,N-diphenylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)-N,N-diphenylpyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)-N,N-diphenylpyrrolidine-1-carboxamide is Cn1c([C@H]2CCCN2C(=O)N(c2ccccc2)c2ccccc2)nc2c1CCCC2.
What is the InChIKey of (2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)-N,N-diphenylpyrrolidine-1-carboxamide?
The InChIKey is MSTFZVRPUXKMLQ-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H28N4O/c1-27-22-16-9-8-15-21(22)26-24(27)23-17-10-18-28(23)25(30)29(19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-7,11-14,23H,8-10,15-18H2,1H3/t23-/m1/s1.
What are the key properties of (2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)-N,N-diphenylpyrrolidine-1-carboxamide?
(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)-N,N-diphenylpyrrolidine-1-carboxamide has a molecular weight of 400.53 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)-N,N-diphenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 99799612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).