N,2-dimethyl-4-(2-methylbenzimidazol-1-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide

C24H30N4O — CID 68761872

IUPACN,2-dimethyl-4-(2-methylbenzimidazol-1-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide
SMILESCc1cc(-n2c(C)nc3ccccc32)ccc1C(=O)N(C)C1CCN(C(C)C)C1
InChIInChI=1S/C24H30N4O/c1-16(2)27-13-12-20(15-27)26(5)24(29)21-11-10-19(14-17(21)3)28-18(4)25-22-8-6-7-9-23(22)28/h6-11,14,16,20H,12-13,15H2,1-5H3
InChIKeyHOUCPBMMQDJGIX-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.20
Rot. Bonds4

About N,2-dimethyl-4-(2-methylbenzimidazol-1-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide

N,2-dimethyl-4-(2-methylbenzimidazol-1-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide (PubChem CID 68761872) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is N,2-dimethyl-4-(2-methylbenzimidazol-1-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound NameN,2-dimethyl-4-(2-methylbenzimidazol-1-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide
PubChem CID68761872
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC NameN,2-dimethyl-4-(2-methylbenzimidazol-1-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide
SMILESCc1cc(-n2c(C)nc3ccccc32)ccc1C(=O)N(C)C1CCN(C(C)C)C1
InChIInChI=1S/C24H30N4O/c1-16(2)27-13-12-20(15-27)26(5)24(29)21-11-10-19(14-17(21)3)28-18(4)25-22-8-6-7-9-23(22)28/h6-11,14,16,20H,12-13,15H2,1-5H3
InChIKeyHOUCPBMMQDJGIX-UHFFFAOYSA-N
XLogP4.20
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopentylpiperidin-4-yl)-N,2-dimethyl-4-(2-methylbenzimidazol-1-yl)benzamide
CID 68761815
N-[(3R)-1-cycloheptylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide
CID 25120609
N-(1-cyclobutylpiperidin-3-yl)-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide
CID 69248116
4-indazol-2-yl-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide
CID 68739853
2-methyl-4-(2-methylbenzimidazol-1-yl)benzamide
CID 81276129
4-indazol-1-yl-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide
CID 25121652
4-[(6-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide
CID 68737817
3-(fluoromethyl)-4-(2-methylbenzimidazol-1-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide
CID 91329414
2-bromo-4-(2-methylbenzimidazol-1-yl)benzamide
CID 107282938
N-(1-cyclopentylpiperidin-4-yl)-4-[(5-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methylbenzamide;4-[(5-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide
CID 68740089
[4-(2-methylbenzimidazol-1-yl)phenyl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 24896761
7-chloro-N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)-1H-indole-2-carboxamide
CID 166475980

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-(2-methylbenzimidazol-1-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide?
The IUPAC name of N,2-dimethyl-4-(2-methylbenzimidazol-1-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide (CID 68761872) is N,2-dimethyl-4-(2-methylbenzimidazol-1-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for N,2-dimethyl-4-(2-methylbenzimidazol-1-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide?
The canonical SMILES for N,2-dimethyl-4-(2-methylbenzimidazol-1-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide is Cc1cc(-n2c(C)nc3ccccc32)ccc1C(=O)N(C)C1CCN(C(C)C)C1.
What is the InChIKey of N,2-dimethyl-4-(2-methylbenzimidazol-1-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide?
The InChIKey is HOUCPBMMQDJGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-16(2)27-13-12-20(15-27)26(5)24(29)21-11-10-19(14-17(21)3)28-18(4)25-22-8-6-7-9-23(22)28/h6-11,14,16,20H,12-13,15H2,1-5H3.
What are the key properties of N,2-dimethyl-4-(2-methylbenzimidazol-1-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide?
N,2-dimethyl-4-(2-methylbenzimidazol-1-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide has a molecular weight of 390.53 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-(2-methylbenzimidazol-1-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 68761872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).