N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-1-sulfonamide

C15H22N4O2S — CID 122563972

IUPACN-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-1-sulfonamide
SMILESCn1c(CCCNS(=O)(=O)N2CCCC2)nc2ccccc21
InChIInChI=1S/C15H22N4O2S/c1-18-14-8-3-2-7-13(14)17-15(18)9-6-10-16-22(20,21)19-11-4-5-12-19/h2-3,7-8,16H,4-6,9-12H2,1H3
InChIKeyFHPKTXMTHLMZMU-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.44
Rot. Bonds6

About N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-1-sulfonamide

N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-1-sulfonamide (PubChem CID 122563972) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-1-sulfonamide
PubChem CID122563972
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC NameN-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-1-sulfonamide
SMILESCn1c(CCCNS(=O)(=O)N2CCCC2)nc2ccccc21
InChIInChI=1S/C15H22N4O2S/c1-18-14-8-3-2-7-13(14)17-15(18)9-6-10-16-22(20,21)19-11-4-5-12-19/h2-3,7-8,16H,4-6,9-12H2,1H3
InChIKeyFHPKTXMTHLMZMU-UHFFFAOYSA-N
XLogP1.44
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
CID 71983544
(2S)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-2-pyrrolidin-1-ylbutanamide
CID 124756311
2-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 110712008
N'-[3-(1-methylbenzimidazol-2-yl)propyl]butane-1,4-diamine
CID 83962059
4-[3-(1-methylbenzimidazol-2-yl)propylamino]butan-1-ol
CID 83962016
N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide
CID 110712040
N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(2-oxoazepan-1-yl)propanamide
CID 122562630
N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine
CID 119109932
3-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 4585215
3-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]butan-1-amine
CID 83962051
2-(4-chlorobutyl)-1-methylbenzimidazole
CID 43142612

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-1-sulfonamide (CID 122563972) is N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-1-sulfonamide is Cn1c(CCCNS(=O)(=O)N2CCCC2)nc2ccccc21.
What is the InChIKey of N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-1-sulfonamide?
The InChIKey is FHPKTXMTHLMZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-18-14-8-3-2-7-13(14)17-15(18)9-6-10-16-22(20,21)19-11-4-5-12-19/h2-3,7-8,16H,4-6,9-12H2,1H3.
What are the key properties of N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-1-sulfonamide?
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-1-sulfonamide has a molecular weight of 322.43 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 122563972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).