N,2-dicyclohexyl-2-[2-(2-ethyl-5-methylpyrazol-3-yl)benzimidazol-1-yl]acetamide

C27H37N5O — CID 68698346

IUPACN,2-dicyclohexyl-2-[2-(2-ethyl-5-methylpyrazol-3-yl)benzimidazol-1-yl]acetamide
SMILESCCn1nc(C)cc1-c1nc2ccccc2n1C(C(=O)NC1CCCCC1)C1CCCCC1
InChIInChI=1S/C27H37N5O/c1-3-31-24(18-19(2)30-31)26-29-22-16-10-11-17-23(22)32(26)25(20-12-6-4-7-13-20)27(33)28-21-14-8-5-9-15-21/h10-11,16-18,20-21,25H,3-9,12-15H2,1-2H3,(H,28,33)
InChIKeyVOSHJOMEKBCLIO-UHFFFAOYSA-N
MW447.63 g/mol
LogP5.80
Rot. Bonds6

About N,2-dicyclohexyl-2-[2-(2-ethyl-5-methylpyrazol-3-yl)benzimidazol-1-yl]acetamide

N,2-dicyclohexyl-2-[2-(2-ethyl-5-methylpyrazol-3-yl)benzimidazol-1-yl]acetamide (PubChem CID 68698346) has the molecular formula C27H37N5O and a molecular weight of 447.63 g/mol. Its IUPAC name is N,2-dicyclohexyl-2-[2-(2-ethyl-5-methylpyrazol-3-yl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN,2-dicyclohexyl-2-[2-(2-ethyl-5-methylpyrazol-3-yl)benzimidazol-1-yl]acetamide
PubChem CID68698346
Molecular FormulaC27H37N5O
Molecular Weight447.63 g/mol
Exact Mass447.30
IUPAC NameN,2-dicyclohexyl-2-[2-(2-ethyl-5-methylpyrazol-3-yl)benzimidazol-1-yl]acetamide
SMILESCCn1nc(C)cc1-c1nc2ccccc2n1C(C(=O)NC1CCCCC1)C1CCCCC1
InChIInChI=1S/C27H37N5O/c1-3-31-24(18-19(2)30-31)26-29-22-16-10-11-17-23(22)32(26)25(20-12-6-4-7-13-20)27(33)28-21-14-8-5-9-15-21/h10-11,16-18,20-21,25H,3-9,12-15H2,1-2H3,(H,28,33)
InChIKeyVOSHJOMEKBCLIO-UHFFFAOYSA-N
XLogP5.80
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.63
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2-dicyclohexyl-2-[2-(2-ethyl-5-methylpyrazol-3-yl)benzimidazol-1-yl]acetamide?
The IUPAC name of N,2-dicyclohexyl-2-[2-(2-ethyl-5-methylpyrazol-3-yl)benzimidazol-1-yl]acetamide (CID 68698346) is N,2-dicyclohexyl-2-[2-(2-ethyl-5-methylpyrazol-3-yl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N,2-dicyclohexyl-2-[2-(2-ethyl-5-methylpyrazol-3-yl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N,2-dicyclohexyl-2-[2-(2-ethyl-5-methylpyrazol-3-yl)benzimidazol-1-yl]acetamide is CCn1nc(C)cc1-c1nc2ccccc2n1C(C(=O)NC1CCCCC1)C1CCCCC1.
What is the InChIKey of N,2-dicyclohexyl-2-[2-(2-ethyl-5-methylpyrazol-3-yl)benzimidazol-1-yl]acetamide?
The InChIKey is VOSHJOMEKBCLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O/c1-3-31-24(18-19(2)30-31)26-29-22-16-10-11-17-23(22)32(26)25(20-12-6-4-7-13-20)27(33)28-21-14-8-5-9-15-21/h10-11,16-18,20-21,25H,3-9,12-15H2,1-2H3,(H,28,33).
What are the key properties of N,2-dicyclohexyl-2-[2-(2-ethyl-5-methylpyrazol-3-yl)benzimidazol-1-yl]acetamide?
N,2-dicyclohexyl-2-[2-(2-ethyl-5-methylpyrazol-3-yl)benzimidazol-1-yl]acetamide has a molecular weight of 447.63 g/mol, XLogP of 5.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dicyclohexyl-2-[2-(2-ethyl-5-methylpyrazol-3-yl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 68698346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).