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

C23H28N4O — CID 25120248

IUPACN-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propylpyrrolidin-3-yl]benzamide
SMILESCCCN1CC[C@@H](N(C)C(=O)c2ccc(-n3c(C)nc4ccccc43)cc2)C1
InChIInChI=1S/C23H28N4O/c1-4-14-26-15-13-20(16-26)25(3)23(28)18-9-11-19(12-10-18)27-17(2)24-21-7-5-6-8-22(21)27/h5-12,20H,4,13-16H2,1-3H3/t20-/m1/s1
InChIKeyFRDFPROGPNSCFA-HXUWFJFHSA-N
MW376.50 g/mol
LogP3.89
Rot. Bonds5

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

N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propylpyrrolidin-3-yl]benzamide (PubChem CID 25120248) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propylpyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propylpyrrolidin-3-yl]benzamide
PubChem CID25120248
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC NameN-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propylpyrrolidin-3-yl]benzamide
SMILESCCCN1CC[C@@H](N(C)C(=O)c2ccc(-n3c(C)nc4ccccc43)cc2)C1
InChIInChI=1S/C23H28N4O/c1-4-14-26-15-13-20(16-26)25(3)23(28)18-9-11-19(12-10-18)27-17(2)24-21-7-5-6-8-22(21)27/h5-12,20H,4,13-16H2,1-3H3/t20-/m1/s1
InChIKeyFRDFPROGPNSCFA-HXUWFJFHSA-N
XLogP3.89
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 45259014
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CID 3243760
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CID 37750349
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CID 10163627
CID 10163627
CID 10208262
CID 10208262
CID 10273657
CID 10273657
CID 16113377
CID 16113377
CID 780674
CID 780674
CID 872071
CID 872071
CID 737733
CID 737733
CID 682223
CID 682223
CID 687915
CID 687915

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propylpyrrolidin-3-yl]benzamide?
The IUPAC name of N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propylpyrrolidin-3-yl]benzamide (CID 25120248) is N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propylpyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propylpyrrolidin-3-yl]benzamide?
The canonical SMILES for N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propylpyrrolidin-3-yl]benzamide is CCCN1CC[C@@H](N(C)C(=O)c2ccc(-n3c(C)nc4ccccc43)cc2)C1.
What is the InChIKey of N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propylpyrrolidin-3-yl]benzamide?
The InChIKey is FRDFPROGPNSCFA-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H28N4O/c1-4-14-26-15-13-20(16-26)25(3)23(28)18-9-11-19(12-10-18)27-17(2)24-21-7-5-6-8-22(21)27/h5-12,20H,4,13-16H2,1-3H3/t20-/m1/s1.
What are the key properties of N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propylpyrrolidin-3-yl]benzamide?
N-methyl-4-(2-methylbenzimidazol-1-yl)-N-[(3R)-1-propylpyrrolidin-3-yl]benzamide has a molecular weight of 376.50 g/mol, XLogP of 3.89, 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)-N-[(3R)-1-propylpyrrolidin-3-yl]benzamide is sourced from PubChem (CID 25120248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).