N-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide

C26H35N5O4 — CID 123975173

IUPACN-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide
SMILESCOCCN(C)c1ncccc1NC(=O)C1CCC(Cn2c(=O)n(C)c3ccc(OC)cc32)CC1
InChIInChI=1S/C26H35N5O4/c1-29(14-15-34-3)24-21(6-5-13-27-24)28-25(32)19-9-7-18(8-10-19)17-31-23-16-20(35-4)11-12-22(23)30(2)26(31)33/h5-6,11-13,16,18-19H,7-10,14-15,17H2,1-4H3,(H,28,32)
InChIKeyKUWXYFFZFHDFCJ-UHFFFAOYSA-N
MW481.60 g/mol
LogP3.27
Rot. Bonds9

About N-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide

N-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 123975173) has the molecular formula C26H35N5O4 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide
PubChem CID123975173
Molecular FormulaC26H35N5O4
Molecular Weight481.60 g/mol
Exact Mass481.27
IUPAC NameN-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide
SMILESCOCCN(C)c1ncccc1NC(=O)C1CCC(Cn2c(=O)n(C)c3ccc(OC)cc32)CC1
InChIInChI=1S/C26H35N5O4/c1-29(14-15-34-3)24-21(6-5-13-27-24)28-25(32)19-9-7-18(8-10-19)17-31-23-16-20(35-4)11-12-22(23)30(2)26(31)33/h5-6,11-13,16,18-19H,7-10,14-15,17H2,1-4H3,(H,28,32)
InChIKeyKUWXYFFZFHDFCJ-UHFFFAOYSA-N
XLogP3.27
TPSA90.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide 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

4-[[6-(2-methoxyethoxy)-3-methyl-2-oxobenzimidazol-1-yl]methyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 66555968
N-(2-chloro-4-pyridinyl)-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide
CID 123754377
3-[(4-acetylcyclohexyl)methyl]-5-methoxy-1-methylbenzimidazol-2-one
CID 70819195
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide
CID 66554593
N-(1,2-dimethylbenzimidazol-5-yl)-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide
CID 66554764
N-(1-benzothiophen-6-yl)-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide
CID 66557154
N-methoxy-1-[4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexanecarbonyl]piperidine-4-carboxamide
CID 123890001
3-[(4-acetylcyclohexyl)methyl]-5-methoxy-1-methylbenzimidazol-2-one;1-[4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexyl]-3-pyridin-4-ylpropane-1,3-dione
CID 162266018
4-[[6-(4,4-difluorobut-3-enoxy)-3-methyl-2-oxobenzimidazol-1-yl]methyl]-N-phenylcyclohexane-1-carboxamide
CID 160798164
3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-(2-methoxyethoxy)-1-methylbenzimidazol-2-one
CID 66556471
5-methoxy-1-methyl-3-[[4-[4-[(2R)-5-oxooxolane-2-carbonyl]piperazine-1-carbonyl]cyclohexyl]methyl]benzimidazol-2-one
CID 123734059
3-[[4-[[(6-chloropyrazin-2-yl)amino]-hydroxymethyl]cyclohexyl]methyl]-5-methoxy-1-methylbenzimidazol-2-one
CID 123492958

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide (CID 123975173) is N-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide is COCCN(C)c1ncccc1NC(=O)C1CCC(Cn2c(=O)n(C)c3ccc(OC)cc32)CC1.
What is the InChIKey of N-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is KUWXYFFZFHDFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O4/c1-29(14-15-34-3)24-21(6-5-13-27-24)28-25(32)19-9-7-18(8-10-19)17-31-23-16-20(35-4)11-12-22(23)30(2)26(31)33/h5-6,11-13,16,18-19H,7-10,14-15,17H2,1-4H3,(H,28,32).
What are the key properties of N-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide?
N-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 123975173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).