N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(2-oxoazepan-1-yl)propanamide

C20H28N4O2 — CID 122562630

IUPACN-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(2-oxoazepan-1-yl)propanamide
SMILESCn1c(CCCNC(=O)CCN2CCCCCC2=O)nc2ccccc21
InChIInChI=1S/C20H28N4O2/c1-23-17-9-5-4-8-16(17)22-18(23)10-7-13-21-19(25)12-15-24-14-6-2-3-11-20(24)26/h4-5,8-9H,2-3,6-7,10-15H2,1H3,(H,21,25)
InChIKeyLSNNKLJUTNYHSY-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.41
Rot. Bonds7

About N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(2-oxoazepan-1-yl)propanamide

N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(2-oxoazepan-1-yl)propanamide (PubChem CID 122562630) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(2-oxoazepan-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(2-oxoazepan-1-yl)propanamide
PubChem CID122562630
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(2-oxoazepan-1-yl)propanamide
SMILESCn1c(CCCNC(=O)CCN2CCCCCC2=O)nc2ccccc21
InChIInChI=1S/C20H28N4O2/c1-23-17-9-5-4-8-16(17)22-18(23)10-7-13-21-19(25)12-15-24-14-6-2-3-11-20(24)26/h4-5,8-9H,2-3,6-7,10-15H2,1H3,(H,21,25)
InChIKeyLSNNKLJUTNYHSY-UHFFFAOYSA-N
XLogP2.41
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.41
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-[3-(1-methylbenzimidazol-2-yl)propyl]hexanamide
CID 56792616
4-[3-[3-(1-methylbenzimidazol-2-yl)propylamino]-3-oxopropyl]benzoic acid
CID 119185805
N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(1-phenylbenzimidazol-2-yl)propanamide
CID 78777422
(2S)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-2-pyrrolidin-1-ylbutanamide
CID 124756311
N-[3-(2-oxoazepan-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 112767643
3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide
CID 91821860
1-(methoxymethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]cyclobutane-1-carboxamide
CID 118790225
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide
CID 91796913
1-ethyl-2-[(1-methylbenzimidazol-2-yl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111146288
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-3-carboxamide
CID 119889963
3-(2-amino-1,3-thiazol-4-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide
CID 91832585
N-[1-methyl-2-[2-(2-oxopiperidin-1-yl)ethyl]benzimidazol-5-yl]pentanamide
CID 17218670

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(2-oxoazepan-1-yl)propanamide?
The IUPAC name of N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(2-oxoazepan-1-yl)propanamide (CID 122562630) is N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(2-oxoazepan-1-yl)propanamide.
What is the SMILES notation for N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(2-oxoazepan-1-yl)propanamide?
The canonical SMILES for N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(2-oxoazepan-1-yl)propanamide is Cn1c(CCCNC(=O)CCN2CCCCCC2=O)nc2ccccc21.
What is the InChIKey of N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(2-oxoazepan-1-yl)propanamide?
The InChIKey is LSNNKLJUTNYHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-23-17-9-5-4-8-16(17)22-18(23)10-7-13-21-19(25)12-15-24-14-6-2-3-11-20(24)26/h4-5,8-9H,2-3,6-7,10-15H2,1H3,(H,21,25).
What are the key properties of N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(2-oxoazepan-1-yl)propanamide?
N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(2-oxoazepan-1-yl)propanamide has a molecular weight of 356.47 g/mol, XLogP of 2.41, 7 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]-3-(2-oxoazepan-1-yl)propanamide is sourced from PubChem (CID 122562630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).