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

C22H29N3O — CID 16988950

IUPACN-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide
SMILESC#CCn1c(CCCCCNC(=O)C2CCCCC2)nc2ccccc21
InChIInChI=1S/C22H29N3O/c1-2-17-25-20-14-9-8-13-19(20)24-21(25)15-7-4-10-16-23-22(26)18-11-5-3-6-12-18/h1,8-9,13-14,18H,3-7,10-12,15-17H2,(H,23,26)
InChIKeyXONOPYJJLPNBNT-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.08
Rot. Bonds8

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

N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide (PubChem CID 16988950) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide
PubChem CID16988950
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide
SMILESC#CCn1c(CCCCCNC(=O)C2CCCCC2)nc2ccccc21
InChIInChI=1S/C22H29N3O/c1-2-17-25-20-14-9-8-13-19(20)24-21(25)15-7-4-10-16-23-22(26)18-11-5-3-6-12-18/h1,8-9,13-14,18H,3-7,10-12,15-17H2,(H,23,26)
InChIKeyXONOPYJJLPNBNT-UHFFFAOYSA-N
XLogP4.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1-prop-2-ynylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide
CID 16981538
N-[5-(1-ethylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide
CID 16988943
methyl 2-[2-[5-(cyclohexanecarbonylamino)pentyl]benzimidazol-1-yl]acetate
CID 16989094
N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]cyclohexanecarboxamide
CID 16988953
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-[5-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]pentyl]cyclohexanecarboxamide
CID 16989093
N-[3-(1-hexylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide
CID 18888908
N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
CID 16989110
N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]cyclohexanecarboxamide
CID 16988970
N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981751
propan-2-yl 2-[2-[3-(cyclohexanecarbonylamino)propyl]benzimidazol-1-yl]acetate
CID 16981598

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide (CID 16988950) is N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide is C#CCn1c(CCCCCNC(=O)C2CCCCC2)nc2ccccc21.
What is the InChIKey of N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide?
The InChIKey is XONOPYJJLPNBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-2-17-25-20-14-9-8-13-19(20)24-21(25)15-7-4-10-16-23-22(26)18-11-5-3-6-12-18/h1,8-9,13-14,18H,3-7,10-12,15-17H2,(H,23,26).
What are the key properties of N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide?
N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide has a molecular weight of 351.49 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-prop-2-ynylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide is sourced from PubChem (CID 16988950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).