N-[5-(1-ethylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide

C21H31N3O — CID 16988943

IUPACN-[5-(1-ethylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide
SMILESCCn1c(CCCCCNC(=O)C2CCCCC2)nc2ccccc21
InChIInChI=1S/C21H31N3O/c1-2-24-19-14-9-8-13-18(19)23-20(24)15-7-4-10-16-22-21(25)17-11-5-3-6-12-17/h8-9,13-14,17H,2-7,10-12,15-16H2,1H3,(H,22,25)
InChIKeyODLRYORBNJFMMZ-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.47
Rot. Bonds8

About N-[5-(1-ethylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide

N-[5-(1-ethylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide (PubChem CID 16988943) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is N-[5-(1-ethylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-(1-ethylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide
PubChem CID16988943
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC NameN-[5-(1-ethylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide
SMILESCCn1c(CCCCCNC(=O)C2CCCCC2)nc2ccccc21
InChIInChI=1S/C21H31N3O/c1-2-24-19-14-9-8-13-18(19)23-20(24)15-7-4-10-16-22-21(25)17-11-5-3-6-12-17/h8-9,13-14,17H,2-7,10-12,15-16H2,1H3,(H,22,25)
InChIKeyODLRYORBNJFMMZ-UHFFFAOYSA-N
XLogP4.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-[5-(cyclohexanecarbonylamino)pentyl]benzimidazol-1-yl]acetate
CID 16989094
N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide
CID 16988950
N-[3-(1-hexylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide
CID 18888908
N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide
CID 16988953
N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]cyclohexanecarboxamide
CID 16988970
N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclohexanecarboxamide
CID 18888831
N-[5-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]pentyl]cyclohexanecarboxamide
CID 16989093
N-[3-(1-prop-2-ynylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide
CID 16981538
N-[5-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide
CID 16989089
N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 16981590
N-[3-(1-heptylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981619
N-[3-(1-decylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981622

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-ethylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-(1-ethylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide (CID 16988943) is N-[5-(1-ethylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-(1-ethylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-(1-ethylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide is CCn1c(CCCCCNC(=O)C2CCCCC2)nc2ccccc21.
What is the InChIKey of N-[5-(1-ethylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide?
The InChIKey is ODLRYORBNJFMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c1-2-24-19-14-9-8-13-18(19)23-20(24)15-7-4-10-16-22-21(25)17-11-5-3-6-12-17/h8-9,13-14,17H,2-7,10-12,15-16H2,1H3,(H,22,25).
What are the key properties of N-[5-(1-ethylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide?
N-[5-(1-ethylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide has a molecular weight of 341.50 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-ethylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide is sourced from PubChem (CID 16988943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).