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

C44H52N8O2 — CID 68762482

IUPACN-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide;N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide
SMILESCc1nc2ccccc2n1-c1ccc(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc1.Cc1nc2ccccc2n1-c1ccc(C(=O)N(C)[C@@H]2CCN(C)C2)cc1
InChIInChI=1S/C23H28N4O.C21H24N4O/c1-16(2)26-14-13-20(15-26)25(4)23(28)18-9-11-19(12-10-18)27-17(3)24-21-7-5-6-8-22(21)27;1-15-22-19-6-4-5-7-20(19)25(15)17-10-8-16(9-11-17)21(26)24(3)18-12-13-23(2)14-18/h5-12,16,20H,13-15H2,1-4H3;4-11,18H,12-14H2,1-3H3/t20-;18-/m11/s1
InChIKeyNOMQHHBBVWCYCX-SNZQEJMOSA-N
MW724.95 g/mol
LogP7.00
Rot. Bonds7

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

N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide;N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide (PubChem CID 68762482) has the molecular formula C44H52N8O2 and a molecular weight of 724.95 g/mol. Its IUPAC name is N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide;N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide;N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide
PubChem CID68762482
Molecular FormulaC44H52N8O2
Molecular Weight724.95 g/mol
Exact Mass724.42
IUPAC NameN-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide;N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide
SMILESCc1nc2ccccc2n1-c1ccc(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc1.Cc1nc2ccccc2n1-c1ccc(C(=O)N(C)[C@@H]2CCN(C)C2)cc1
InChIInChI=1S/C23H28N4O.C21H24N4O/c1-16(2)26-14-13-20(15-26)25(4)23(28)18-9-11-19(12-10-18)27-17(3)24-21-7-5-6-8-22(21)27;1-15-22-19-6-4-5-7-20(19)25(15)17-10-8-16(9-11-17)21(26)24(3)18-12-13-23(2)14-18/h5-12,16,20H,13-15H2,1-4H3;4-11,18H,12-14H2,1-3H3/t20-;18-/m11/s1
InChIKeyNOMQHHBBVWCYCX-SNZQEJMOSA-N
XLogP7.00
TPSA82.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.95
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide;N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide?
The IUPAC name of N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide;N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide (CID 68762482) is N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide;N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide;N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide?
The canonical SMILES for N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide;N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide is Cc1nc2ccccc2n1-c1ccc(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc1.Cc1nc2ccccc2n1-c1ccc(C(=O)N(C)[C@@H]2CCN(C)C2)cc1.
What is the InChIKey of N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide;N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide?
The InChIKey is NOMQHHBBVWCYCX-SNZQEJMOSA-N. The full InChI is InChI=1S/C23H28N4O.C21H24N4O/c1-16(2)26-14-13-20(15-26)25(4)23(28)18-9-11-19(12-10-18)27-17(3)24-21-7-5-6-8-22(21)27;1-15-22-19-6-4-5-7-20(19)25(15)17-10-8-16(9-11-17)21(26)24(3)18-12-13-23(2)14-18/h5-12,16,20H,13-15H2,1-4H3;4-11,18H,12-14H2,1-3H3/t20-;18-/m11/s1.
What are the key properties of N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide;N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide?
N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide;N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide has a molecular weight of 724.95 g/mol, XLogP of 7.00, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide;N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide is sourced from PubChem (CID 68762482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).