(2S)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-2-pyrrolidin-1-ylbutanamide

C19H28N4O — CID 124756311

IUPAC(2S)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-2-pyrrolidin-1-ylbutanamide
SMILESCC[C@@H](C(=O)NCCCc1nc2ccccc2n1C)N1CCCC1
InChIInChI=1S/C19H28N4O/c1-3-16(23-13-6-7-14-23)19(24)20-12-8-11-18-21-15-9-4-5-10-17(15)22(18)2/h4-5,9-10,16H,3,6-8,11-14H2,1-2H3,(H,20,24)/t16-/m0/s1
InChIKeySKELHZNLBNZMTO-INIZCTEOSA-N
MW328.46 g/mol
LogP2.50
Rot. Bonds7

About (2S)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-2-pyrrolidin-1-ylbutanamide

(2S)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-2-pyrrolidin-1-ylbutanamide (PubChem CID 124756311) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is (2S)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-2-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound Name(2S)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-2-pyrrolidin-1-ylbutanamide
PubChem CID124756311
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name(2S)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-2-pyrrolidin-1-ylbutanamide
SMILESCC[C@@H](C(=O)NCCCc1nc2ccccc2n1C)N1CCCC1
InChIInChI=1S/C19H28N4O/c1-3-16(23-13-6-7-14-23)19(24)20-12-8-11-18-21-15-9-4-5-10-17(15)22(18)2/h4-5,9-10,16H,3,6-8,11-14H2,1-2H3,(H,20,24)/t16-/m0/s1
InChIKeySKELHZNLBNZMTO-INIZCTEOSA-N
XLogP2.50
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.50
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

N-cyclopentyl-2-[3-(1-methylbenzimidazol-2-yl)propylamino]propanamide
CID 50951475
N-[3-(1-methylbenzimidazol-2-yl)propyl]hexanamide
CID 56792616
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide
CID 95630274
N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(2-oxoazepan-1-yl)propanamide
CID 122562630
N-[3-(1-methylbenzimidazol-2-yl)propyl]-1-propanoylpiperidine-3-carboxamide
CID 72904958
4-methyl-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-pyrrol-1-ylpentanamide
CID 121239237
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-3-carboxamide
CID 119889963
3-amino-2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119889914
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-1-sulfonamide
CID 122563972
N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981769
3-bromo-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 16983297
2-(2-chlorophenyl)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]acetamide
CID 16993642

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-2-pyrrolidin-1-ylbutanamide?
The IUPAC name of (2S)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-2-pyrrolidin-1-ylbutanamide (CID 124756311) is (2S)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-2-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for (2S)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-2-pyrrolidin-1-ylbutanamide?
The canonical SMILES for (2S)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-2-pyrrolidin-1-ylbutanamide is CC[C@@H](C(=O)NCCCc1nc2ccccc2n1C)N1CCCC1.
What is the InChIKey of (2S)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-2-pyrrolidin-1-ylbutanamide?
The InChIKey is SKELHZNLBNZMTO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H28N4O/c1-3-16(23-13-6-7-14-23)19(24)20-12-8-11-18-21-15-9-4-5-10-17(15)22(18)2/h4-5,9-10,16H,3,6-8,11-14H2,1-2H3,(H,20,24)/t16-/m0/s1.
What are the key properties of (2S)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-2-pyrrolidin-1-ylbutanamide?
(2S)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-2-pyrrolidin-1-ylbutanamide has a molecular weight of 328.46 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-2-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 124756311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).