N-methyl-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)propanamide

C24H31N5O3S — CID 55634488

IUPACN-methyl-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)propanamide
SMILESCCCn1c(CCC(=O)N(C)Cc2ccncc2)nc2cc(S(=O)(=O)N3CCCC3)ccc21
InChIInChI=1S/C24H31N5O3S/c1-3-14-29-22-7-6-20(33(31,32)28-15-4-5-16-28)17-21(22)26-23(29)8-9-24(30)27(2)18-19-10-12-25-13-11-19/h6-7,10-13,17H,3-5,8-9,14-16,18H2,1-2H3
InChIKeyQTRASFWTDLZSRJ-UHFFFAOYSA-N
MW469.61 g/mol
LogP3.22
Rot. Bonds9

About N-methyl-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)propanamide

N-methyl-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 55634488) has the molecular formula C24H31N5O3S and a molecular weight of 469.61 g/mol. Its IUPAC name is N-methyl-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)propanamide
PubChem CID55634488
Molecular FormulaC24H31N5O3S
Molecular Weight469.61 g/mol
Exact Mass469.21
IUPAC NameN-methyl-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)propanamide
SMILESCCCn1c(CCC(=O)N(C)Cc2ccncc2)nc2cc(S(=O)(=O)N3CCCC3)ccc21
InChIInChI=1S/C24H31N5O3S/c1-3-14-29-22-7-6-20(33(31,32)28-15-4-5-16-28)17-21(22)26-23(29)8-9-24(30)27(2)18-19-10-12-25-13-11-19/h6-7,10-13,17H,3-5,8-9,14-16,18H2,1-2H3
InChIKeyQTRASFWTDLZSRJ-UHFFFAOYSA-N
XLogP3.22
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(4-methylphenyl)methyl]-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 38046514
N-[(3-fluorophenyl)methyl]-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 25467619
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 25325137
N-naphthalen-2-yl-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 24638965
N-(4-methylcyclohexyl)-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 42999177
N-[2-(4-fluorophenyl)ethyl]-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 24635673
N-(2-ethylphenyl)-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 37337471
N-(4-methyl-1,3-thiazol-2-yl)-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 16580086
N'-[3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]pyridine-2-carbohydrazide
CID 26533642
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 55621392
N-methyl-3-[3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanoylamino]benzamide
CID 24615509
N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-propan-2-ylpropanamide
CID 78843860

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of N-methyl-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)propanamide (CID 55634488) is N-methyl-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for N-methyl-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for N-methyl-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)propanamide is CCCn1c(CCC(=O)N(C)Cc2ccncc2)nc2cc(S(=O)(=O)N3CCCC3)ccc21.
What is the InChIKey of N-methyl-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is QTRASFWTDLZSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3S/c1-3-14-29-22-7-6-20(33(31,32)28-15-4-5-16-28)17-21(22)26-23(29)8-9-24(30)27(2)18-19-10-12-25-13-11-19/h6-7,10-13,17H,3-5,8-9,14-16,18H2,1-2H3.
What are the key properties of N-methyl-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)propanamide?
N-methyl-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 469.61 g/mol, XLogP of 3.22, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 55634488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).