N-[4-[cyano-(1-ethylbenzimidazol-2-yl)methyl]-5-methylpyrimidin-2-yl]cyclopentanecarboxamide

C22H24N6O — CID 91421437

IUPACN-[4-[cyano-(1-ethylbenzimidazol-2-yl)methyl]-5-methylpyrimidin-2-yl]cyclopentanecarboxamide
SMILESCCn1c(C(C#N)c2nc(NC(=O)C3CCCC3)ncc2C)nc2ccccc21
InChIInChI=1S/C22H24N6O/c1-3-28-18-11-7-6-10-17(18)25-20(28)16(12-23)19-14(2)13-24-22(26-19)27-21(29)15-8-4-5-9-15/h6-7,10-11,13,15-16H,3-5,8-9H2,1-2H3,(H,24,26,27,29)
InChIKeyBDEZIFUIHWCZLF-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.94
Rot. Bonds5

About N-[4-[cyano-(1-ethylbenzimidazol-2-yl)methyl]-5-methylpyrimidin-2-yl]cyclopentanecarboxamide

N-[4-[cyano-(1-ethylbenzimidazol-2-yl)methyl]-5-methylpyrimidin-2-yl]cyclopentanecarboxamide (PubChem CID 91421437) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is N-[4-[cyano-(1-ethylbenzimidazol-2-yl)methyl]-5-methylpyrimidin-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-[cyano-(1-ethylbenzimidazol-2-yl)methyl]-5-methylpyrimidin-2-yl]cyclopentanecarboxamide
PubChem CID91421437
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC NameN-[4-[cyano-(1-ethylbenzimidazol-2-yl)methyl]-5-methylpyrimidin-2-yl]cyclopentanecarboxamide
SMILESCCn1c(C(C#N)c2nc(NC(=O)C3CCCC3)ncc2C)nc2ccccc21
InChIInChI=1S/C22H24N6O/c1-3-28-18-11-7-6-10-17(18)25-20(28)16(12-23)19-14(2)13-24-22(26-19)27-21(29)15-8-4-5-9-15/h6-7,10-11,13,15-16H,3-5,8-9H2,1-2H3,(H,24,26,27,29)
InChIKeyBDEZIFUIHWCZLF-UHFFFAOYSA-N
XLogP3.94
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[cyano-(1-ethylbenzimidazol-2-yl)methyl]-5-methylpyrimidin-2-yl]cyclopentanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-N-[4-[cyano-(1-ethylbenzimidazol-2-yl)methyl]-5-methylpyrimidin-2-yl]-1,3-thiazolidine-4-carboxamide
CID 90892634
4-amino-N-[4-[cyano-(1-ethylbenzimidazol-2-yl)methyl]-5-methylpyrimidin-2-yl]butanamide
CID 91553873
2-(2-chloro-5-methylpyrimidin-4-yl)-2-(1-ethylbenzimidazol-2-yl)acetonitrile
CID 91456192
2-(1-ethylbenzimidazol-2-yl)-2-[5-methyl-2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile
CID 11372893
2-(1-ethylbenzimidazol-2-yl)-2-[2-(2-imidazol-1-ylethylamino)-5-methylpyrimidin-4-yl]acetonitrile
CID 91483002
N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16968262
N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969775
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 86858410
N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16968280
N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16968279
(2S,5R)-5-(aminomethyl)-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 120799188
N-[5-(1-ethylbenzimidazol-2-yl)pentyl]cyclohexanecarboxamide
CID 16988943

Frequently Asked Questions

What is the IUPAC name of N-[4-[cyano-(1-ethylbenzimidazol-2-yl)methyl]-5-methylpyrimidin-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[4-[cyano-(1-ethylbenzimidazol-2-yl)methyl]-5-methylpyrimidin-2-yl]cyclopentanecarboxamide (CID 91421437) is N-[4-[cyano-(1-ethylbenzimidazol-2-yl)methyl]-5-methylpyrimidin-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-[cyano-(1-ethylbenzimidazol-2-yl)methyl]-5-methylpyrimidin-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-[cyano-(1-ethylbenzimidazol-2-yl)methyl]-5-methylpyrimidin-2-yl]cyclopentanecarboxamide is CCn1c(C(C#N)c2nc(NC(=O)C3CCCC3)ncc2C)nc2ccccc21.
What is the InChIKey of N-[4-[cyano-(1-ethylbenzimidazol-2-yl)methyl]-5-methylpyrimidin-2-yl]cyclopentanecarboxamide?
The InChIKey is BDEZIFUIHWCZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-3-28-18-11-7-6-10-17(18)25-20(28)16(12-23)19-14(2)13-24-22(26-19)27-21(29)15-8-4-5-9-15/h6-7,10-11,13,15-16H,3-5,8-9H2,1-2H3,(H,24,26,27,29).
What are the key properties of N-[4-[cyano-(1-ethylbenzimidazol-2-yl)methyl]-5-methylpyrimidin-2-yl]cyclopentanecarboxamide?
N-[4-[cyano-(1-ethylbenzimidazol-2-yl)methyl]-5-methylpyrimidin-2-yl]cyclopentanecarboxamide has a molecular weight of 388.48 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyano-(1-ethylbenzimidazol-2-yl)methyl]-5-methylpyrimidin-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 91421437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).