1-cycloheptyl-N-(2,2-dimethoxyethyl)benzimidazole-5-carboxamide

C19H27N3O3 — CID 4058881

IUPAC1-cycloheptyl-N-(2,2-dimethoxyethyl)benzimidazole-5-carboxamide
SMILESCOC(CNC(=O)c1ccc2c(c1)ncn2C1CCCCCC1)OC
InChIInChI=1S/C19H27N3O3/c1-24-18(25-2)12-20-19(23)14-9-10-17-16(11-14)21-13-22(17)15-7-5-3-4-6-8-15/h9-11,13,15,18H,3-8,12H2,1-2H3,(H,20,23)
InChIKeySXWYWXWXCPHZTE-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.28
Rot. Bonds6

About 1-cycloheptyl-N-(2,2-dimethoxyethyl)benzimidazole-5-carboxamide

1-cycloheptyl-N-(2,2-dimethoxyethyl)benzimidazole-5-carboxamide (PubChem CID 4058881) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-cycloheptyl-N-(2,2-dimethoxyethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-cycloheptyl-N-(2,2-dimethoxyethyl)benzimidazole-5-carboxamide
PubChem CID4058881
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-cycloheptyl-N-(2,2-dimethoxyethyl)benzimidazole-5-carboxamide
SMILESCOC(CNC(=O)c1ccc2c(c1)ncn2C1CCCCCC1)OC
InChIInChI=1S/C19H27N3O3/c1-24-18(25-2)12-20-19(23)14-9-10-17-16(11-14)21-13-22(17)15-7-5-3-4-6-8-15/h9-11,13,15,18H,3-8,12H2,1-2H3,(H,20,23)
InChIKeySXWYWXWXCPHZTE-UHFFFAOYSA-N
XLogP3.28
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-(2,2-dimethoxyethyl)benzimidazole-5-carboxamide?
The IUPAC name of 1-cycloheptyl-N-(2,2-dimethoxyethyl)benzimidazole-5-carboxamide (CID 4058881) is 1-cycloheptyl-N-(2,2-dimethoxyethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-cycloheptyl-N-(2,2-dimethoxyethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-cycloheptyl-N-(2,2-dimethoxyethyl)benzimidazole-5-carboxamide is COC(CNC(=O)c1ccc2c(c1)ncn2C1CCCCCC1)OC.
What is the InChIKey of 1-cycloheptyl-N-(2,2-dimethoxyethyl)benzimidazole-5-carboxamide?
The InChIKey is SXWYWXWXCPHZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-24-18(25-2)12-20-19(23)14-9-10-17-16(11-14)21-13-22(17)15-7-5-3-4-6-8-15/h9-11,13,15,18H,3-8,12H2,1-2H3,(H,20,23).
What are the key properties of 1-cycloheptyl-N-(2,2-dimethoxyethyl)benzimidazole-5-carboxamide?
1-cycloheptyl-N-(2,2-dimethoxyethyl)benzimidazole-5-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-(2,2-dimethoxyethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 4058881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).