N-cyclopentyl-2-[3-(1-methylbenzimidazol-2-yl)propylamino]propanamide

C19H28N4O — CID 50951475

IUPACN-cyclopentyl-2-[3-(1-methylbenzimidazol-2-yl)propylamino]propanamide
SMILESCC(NCCCc1nc2ccccc2n1C)C(=O)NC1CCCC1
InChIInChI=1S/C19H28N4O/c1-14(19(24)21-15-8-3-4-9-15)20-13-7-12-18-22-16-10-5-6-11-17(16)23(18)2/h5-6,10-11,14-15,20H,3-4,7-9,12-13H2,1-2H3,(H,21,24)
InChIKeyPCGPAJIPFBVQIG-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.54
Rot. Bonds7

About N-cyclopentyl-2-[3-(1-methylbenzimidazol-2-yl)propylamino]propanamide

N-cyclopentyl-2-[3-(1-methylbenzimidazol-2-yl)propylamino]propanamide (PubChem CID 50951475) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-cyclopentyl-2-[3-(1-methylbenzimidazol-2-yl)propylamino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[3-(1-methylbenzimidazol-2-yl)propylamino]propanamide
PubChem CID50951475
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-cyclopentyl-2-[3-(1-methylbenzimidazol-2-yl)propylamino]propanamide
SMILESCC(NCCCc1nc2ccccc2n1C)C(=O)NC1CCCC1
InChIInChI=1S/C19H28N4O/c1-14(19(24)21-15-8-3-4-9-15)20-13-7-12-18-22-16-10-5-6-11-17(16)23(18)2/h5-6,10-11,14-15,20H,3-4,7-9,12-13H2,1-2H3,(H,21,24)
InChIKeyPCGPAJIPFBVQIG-UHFFFAOYSA-N
XLogP2.54
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea;formic acid
CID 154903685
(2S)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-2-pyrrolidin-1-ylbutanamide
CID 124756311
2-(cyclohexylcarbamoylamino)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 60542277
N-[3-(1-methylbenzimidazol-2-yl)propyl]thian-3-amine
CID 122559427
(3R)-N-[3-(1-methylbenzimidazol-2-yl)propyl]thian-3-amine
CID 124616836
N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981769
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide
CID 91918229
2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 118771504
3-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 4585215
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
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[3-(1-methylbenzimidazol-2-yl)propylamino]propanamide?
The IUPAC name of N-cyclopentyl-2-[3-(1-methylbenzimidazol-2-yl)propylamino]propanamide (CID 50951475) is N-cyclopentyl-2-[3-(1-methylbenzimidazol-2-yl)propylamino]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[3-(1-methylbenzimidazol-2-yl)propylamino]propanamide?
The canonical SMILES for N-cyclopentyl-2-[3-(1-methylbenzimidazol-2-yl)propylamino]propanamide is CC(NCCCc1nc2ccccc2n1C)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[3-(1-methylbenzimidazol-2-yl)propylamino]propanamide?
The InChIKey is PCGPAJIPFBVQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-14(19(24)21-15-8-3-4-9-15)20-13-7-12-18-22-16-10-5-6-11-17(16)23(18)2/h5-6,10-11,14-15,20H,3-4,7-9,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-cyclopentyl-2-[3-(1-methylbenzimidazol-2-yl)propylamino]propanamide?
N-cyclopentyl-2-[3-(1-methylbenzimidazol-2-yl)propylamino]propanamide has a molecular weight of 328.46 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[3-(1-methylbenzimidazol-2-yl)propylamino]propanamide is sourced from PubChem (CID 50951475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).