N-[1-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide

C23H33N5O2 — CID 86885078

IUPACN-[1-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide
SMILESCC(NC(=O)CC1CCCCC1)C(=O)N1CCCN(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C23H33N5O2/c1-17(24-21(29)16-18-8-3-2-4-9-18)22(30)27-12-7-13-28(15-14-27)23-25-19-10-5-6-11-20(19)26-23/h5-6,10-11,17-18H,2-4,7-9,12-16H2,1H3,(H,24,29)(H,25,26)
InChIKeyIJNPJQQEVLDVCX-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.08
Rot. Bonds5

About N-[1-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide

N-[1-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide (PubChem CID 86885078) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[1-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[1-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide
PubChem CID86885078
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC NameN-[1-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide
SMILESCC(NC(=O)CC1CCCCC1)C(=O)N1CCCN(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C23H33N5O2/c1-17(24-21(29)16-18-8-3-2-4-9-18)22(30)27-12-7-13-28(15-14-27)23-25-19-10-5-6-11-20(19)26-23/h5-6,10-11,17-18H,2-4,7-9,12-16H2,1H3,(H,24,29)(H,25,26)
InChIKeyIJNPJQQEVLDVCX-UHFFFAOYSA-N
XLogP3.08
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide with MolForge

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Related Compounds

1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone
CID 110376496
1-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]prop-2-en-1-one
CID 126816820
[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 25268868
2-cyclohexyl-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride
CID 119418106
(3R)-1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-hydroxy-4-methylpentan-1-one
CID 97331869
2-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-N-[cyclopropyl(phenyl)methyl]acetamide
CID 86892426
2-[[1-(1H-benzimidazol-2-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814248
1-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-2-[4-(2-methylpropoxy)phenyl]ethanone
CID 86896688
1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 133410090
2-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 86885522
2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole
CID 10704647
(2R)-2-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-N-(methylcarbamoyl)propanamide
CID 95238276

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide?
The IUPAC name of N-[1-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide (CID 86885078) is N-[1-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[1-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide?
The canonical SMILES for N-[1-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide is CC(NC(=O)CC1CCCCC1)C(=O)N1CCCN(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of N-[1-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide?
The InChIKey is IJNPJQQEVLDVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2/c1-17(24-21(29)16-18-8-3-2-4-9-18)22(30)27-12-7-13-28(15-14-27)23-25-19-10-5-6-11-20(19)26-23/h5-6,10-11,17-18H,2-4,7-9,12-16H2,1H3,(H,24,29)(H,25,26).
What are the key properties of N-[1-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide?
N-[1-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide has a molecular weight of 411.55 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide is sourced from PubChem (CID 86885078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).