N-methyl-4-[(2-methylbenzimidazol-1-yl)methyl]-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide

C24H30N4O — CID 25120953

IUPACN-methyl-4-[(2-methylbenzimidazol-1-yl)methyl]-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide
SMILESCc1nc2ccccc2n1Cc1ccc(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc1
InChIInChI=1S/C24H30N4O/c1-17(2)27-14-13-21(16-27)26(4)24(29)20-11-9-19(10-12-20)15-28-18(3)25-22-7-5-6-8-23(22)28/h5-12,17,21H,13-16H2,1-4H3/t21-/m1/s1
InChIKeyHCMZXLHYLYQXTP-OAQYLSRUSA-N
MW390.53 g/mol
LogP3.95
Rot. Bonds5

About N-methyl-4-[(2-methylbenzimidazol-1-yl)methyl]-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide

N-methyl-4-[(2-methylbenzimidazol-1-yl)methyl]-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide (PubChem CID 25120953) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is N-methyl-4-[(2-methylbenzimidazol-1-yl)methyl]-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(2-methylbenzimidazol-1-yl)methyl]-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide
PubChem CID25120953
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC NameN-methyl-4-[(2-methylbenzimidazol-1-yl)methyl]-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide
SMILESCc1nc2ccccc2n1Cc1ccc(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc1
InChIInChI=1S/C24H30N4O/c1-17(2)27-14-13-21(16-27)26(4)24(29)20-11-9-19(10-12-20)15-28-18(3)25-22-7-5-6-8-23(22)28/h5-12,17,21H,13-16H2,1-4H3/t21-/m1/s1
InChIKeyHCMZXLHYLYQXTP-OAQYLSRUSA-N
XLogP3.95
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-methylbenzimidazol-1-yl)methyl]-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide?
The IUPAC name of N-methyl-4-[(2-methylbenzimidazol-1-yl)methyl]-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide (CID 25120953) is N-methyl-4-[(2-methylbenzimidazol-1-yl)methyl]-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-methyl-4-[(2-methylbenzimidazol-1-yl)methyl]-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide?
The canonical SMILES for N-methyl-4-[(2-methylbenzimidazol-1-yl)methyl]-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide is Cc1nc2ccccc2n1Cc1ccc(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc1.
What is the InChIKey of N-methyl-4-[(2-methylbenzimidazol-1-yl)methyl]-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide?
The InChIKey is HCMZXLHYLYQXTP-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H30N4O/c1-17(2)27-14-13-21(16-27)26(4)24(29)20-11-9-19(10-12-20)15-28-18(3)25-22-7-5-6-8-23(22)28/h5-12,17,21H,13-16H2,1-4H3/t21-/m1/s1.
What are the key properties of N-methyl-4-[(2-methylbenzimidazol-1-yl)methyl]-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide?
N-methyl-4-[(2-methylbenzimidazol-1-yl)methyl]-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide has a molecular weight of 390.53 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-methylbenzimidazol-1-yl)methyl]-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide is sourced from PubChem (CID 25120953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).