N-cycloheptyl-1-(4-methoxyphenyl)benzimidazole-5-carboxamide

C22H25N3O2 — CID 4287729

IUPACN-cycloheptyl-1-(4-methoxyphenyl)benzimidazole-5-carboxamide
SMILESCOc1ccc(-n2cnc3cc(C(=O)NC4CCCCCC4)ccc32)cc1
InChIInChI=1S/C22H25N3O2/c1-27-19-11-9-18(10-12-19)25-15-23-20-14-16(8-13-21(20)25)22(26)24-17-6-4-2-3-5-7-17/h8-15,17H,2-7H2,1H3,(H,24,26)
InChIKeyFCJRFBPLVRROTA-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.49
Rot. Bonds4

About N-cycloheptyl-1-(4-methoxyphenyl)benzimidazole-5-carboxamide

N-cycloheptyl-1-(4-methoxyphenyl)benzimidazole-5-carboxamide (PubChem CID 4287729) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-cycloheptyl-1-(4-methoxyphenyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(4-methoxyphenyl)benzimidazole-5-carboxamide
PubChem CID4287729
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-cycloheptyl-1-(4-methoxyphenyl)benzimidazole-5-carboxamide
SMILESCOc1ccc(-n2cnc3cc(C(=O)NC4CCCCCC4)ccc32)cc1
InChIInChI=1S/C22H25N3O2/c1-27-19-11-9-18(10-12-19)25-15-23-20-14-16(8-13-21(20)25)22(26)24-17-6-4-2-3-5-7-17/h8-15,17H,2-7H2,1H3,(H,24,26)
InChIKeyFCJRFBPLVRROTA-UHFFFAOYSA-N
XLogP4.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(4-methoxyphenyl)benzimidazole-5-carboxamide?
The IUPAC name of N-cycloheptyl-1-(4-methoxyphenyl)benzimidazole-5-carboxamide (CID 4287729) is N-cycloheptyl-1-(4-methoxyphenyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(4-methoxyphenyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(4-methoxyphenyl)benzimidazole-5-carboxamide is COc1ccc(-n2cnc3cc(C(=O)NC4CCCCCC4)ccc32)cc1.
What is the InChIKey of N-cycloheptyl-1-(4-methoxyphenyl)benzimidazole-5-carboxamide?
The InChIKey is FCJRFBPLVRROTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-27-19-11-9-18(10-12-19)25-15-23-20-14-16(8-13-21(20)25)22(26)24-17-6-4-2-3-5-7-17/h8-15,17H,2-7H2,1H3,(H,24,26).
What are the key properties of N-cycloheptyl-1-(4-methoxyphenyl)benzimidazole-5-carboxamide?
N-cycloheptyl-1-(4-methoxyphenyl)benzimidazole-5-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(4-methoxyphenyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 4287729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).