N-[3-(1H-benzimidazol-2-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide

C18H24N4O2 — CID 30359729

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESO=C(CN1CCCCCC1=O)NCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C18H24N4O2/c23-17(13-22-12-5-1-2-10-18(22)24)19-11-6-9-16-20-14-7-3-4-8-15(14)21-16/h3-4,7-8H,1-2,5-6,9-13H2,(H,19,23)(H,20,21)
InChIKeyVDDNRAJXCSALDG-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.01
Rot. Bonds6

About N-[3-(1H-benzimidazol-2-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide

N-[3-(1H-benzimidazol-2-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide (PubChem CID 30359729) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide
PubChem CID30359729
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide
SMILESO=C(CN1CCCCCC1=O)NCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C18H24N4O2/c23-17(13-22-12-5-1-2-10-18(22)24)19-11-6-9-16-20-14-7-3-4-8-15(14)21-16/h3-4,7-8H,1-2,5-6,9-13H2,(H,19,23)(H,20,21)
InChIKeyVDDNRAJXCSALDG-UHFFFAOYSA-N
XLogP2.01
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 55909912
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 29303573
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 29445090
4-(1H-benzimidazol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 46411465
2-(2-oxoazepan-1-yl)-N-[2-(quinolin-2-ylamino)ethyl]acetamide
CID 122142659
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(1-pyrrol-1-ylcyclohexyl)acetamide
CID 71827812
(2R)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 86800699
1-amino-N-[3-(1H-benzimidazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119838245
N-[3-(1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 17474306
(3R)-1-N-[3-(1H-benzimidazol-2-yl)propyl]-3-N-methylpiperidine-1,3-dicarboxamide
CID 99584356
N-(2-naphthalen-1-ylethyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 78865136
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide (CID 30359729) is N-[3-(1H-benzimidazol-2-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide is O=C(CN1CCCCCC1=O)NCCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide?
The InChIKey is VDDNRAJXCSALDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-17(13-22-12-5-1-2-10-18(22)24)19-11-6-9-16-20-14-7-3-4-8-15(14)21-16/h3-4,7-8H,1-2,5-6,9-13H2,(H,19,23)(H,20,21).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide has a molecular weight of 328.42 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-2-(2-oxoazepan-1-yl)acetamide is sourced from PubChem (CID 30359729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).