N-(3-methoxy-4-methylphenyl)-4-[4-[methyl-[2-(methylamino)ethyl]amino]-2-oxo-3H-benzimidazol-1-yl]cyclohexane-1-carboxamide

C26H35N5O3 — CID 153337751

IUPACN-(3-methoxy-4-methylphenyl)-4-[4-[methyl-[2-(methylamino)ethyl]amino]-2-oxo-3H-benzimidazol-1-yl]cyclohexane-1-carboxamide
SMILESCNCCN(C)c1cccc2c1[nH]c(=O)n2C1CCC(C(=O)Nc2ccc(C)c(OC)c2)CC1
InChIInChI=1S/C26H35N5O3/c1-17-8-11-19(16-23(17)34-4)28-25(32)18-9-12-20(13-10-18)31-22-7-5-6-21(24(22)29-26(31)33)30(3)15-14-27-2/h5-8,11,16,18,20,27H,9-10,12-15H2,1-4H3,(H,28,32)(H,29,33)
InChIKeyLNSHQMUBDXNAKB-UHFFFAOYSA-N
MW465.60 g/mol
LogP3.67
Rot. Bonds8

About N-(3-methoxy-4-methylphenyl)-4-[4-[methyl-[2-(methylamino)ethyl]amino]-2-oxo-3H-benzimidazol-1-yl]cyclohexane-1-carboxamide

N-(3-methoxy-4-methylphenyl)-4-[4-[methyl-[2-(methylamino)ethyl]amino]-2-oxo-3H-benzimidazol-1-yl]cyclohexane-1-carboxamide (PubChem CID 153337751) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is N-(3-methoxy-4-methylphenyl)-4-[4-[methyl-[2-(methylamino)ethyl]amino]-2-oxo-3H-benzimidazol-1-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxy-4-methylphenyl)-4-[4-[methyl-[2-(methylamino)ethyl]amino]-2-oxo-3H-benzimidazol-1-yl]cyclohexane-1-carboxamide
PubChem CID153337751
Molecular FormulaC26H35N5O3
Molecular Weight465.60 g/mol
Exact Mass465.27
IUPAC NameN-(3-methoxy-4-methylphenyl)-4-[4-[methyl-[2-(methylamino)ethyl]amino]-2-oxo-3H-benzimidazol-1-yl]cyclohexane-1-carboxamide
SMILESCNCCN(C)c1cccc2c1[nH]c(=O)n2C1CCC(C(=O)Nc2ccc(C)c(OC)c2)CC1
InChIInChI=1S/C26H35N5O3/c1-17-8-11-19(16-23(17)34-4)28-25(32)18-9-12-20(13-10-18)31-22-7-5-6-21(24(22)29-26(31)33)30(3)15-14-27-2/h5-8,11,16,18,20,27H,9-10,12-15H2,1-4H3,(H,28,32)(H,29,33)
InChIKeyLNSHQMUBDXNAKB-UHFFFAOYSA-N
XLogP3.67
TPSA91.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazole-4-carboxylate
CID 150634061
4-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-2-oxo-3H-benzimidazol-1-yl]-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide
CID 155679470
N-[1-[4-[(3-methoxy-4-methylphenyl)carbamoyl]cyclohexyl]-2-oxo-3H-benzimidazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 151661173
4-(6-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxamide
CID 147015751
N-(1H-indol-6-yl)-4-(4-methoxy-2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carboxamide
CID 155466242
4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-hydroxy-3-methylphenyl)cyclohexane-1-carboxamide
CID 153337782
4-(4-bromo-2-oxo-3H-benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)cyclohexane-1-carboxamide
CID 151686592
N-(4-methoxy-3-methylphenyl)-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)cyclohexane-1-carboxamide
CID 153337742
ethyl 4-(4-methoxy-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 69176194
3-cyclohexyl-7-methoxy-1H-benzimidazol-2-one
CID 117206936
7-methoxy-3-(oxan-4-yl)-1H-benzimidazol-2-one
CID 117206184
N-[3-(difluoromethoxy)-4-methylphenyl]cyclopropanecarboxamide
CID 56790840

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-4-methylphenyl)-4-[4-[methyl-[2-(methylamino)ethyl]amino]-2-oxo-3H-benzimidazol-1-yl]cyclohexane-1-carboxamide?
The IUPAC name of N-(3-methoxy-4-methylphenyl)-4-[4-[methyl-[2-(methylamino)ethyl]amino]-2-oxo-3H-benzimidazol-1-yl]cyclohexane-1-carboxamide (CID 153337751) is N-(3-methoxy-4-methylphenyl)-4-[4-[methyl-[2-(methylamino)ethyl]amino]-2-oxo-3H-benzimidazol-1-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-methoxy-4-methylphenyl)-4-[4-[methyl-[2-(methylamino)ethyl]amino]-2-oxo-3H-benzimidazol-1-yl]cyclohexane-1-carboxamide?
The canonical SMILES for N-(3-methoxy-4-methylphenyl)-4-[4-[methyl-[2-(methylamino)ethyl]amino]-2-oxo-3H-benzimidazol-1-yl]cyclohexane-1-carboxamide is CNCCN(C)c1cccc2c1[nH]c(=O)n2C1CCC(C(=O)Nc2ccc(C)c(OC)c2)CC1.
What is the InChIKey of N-(3-methoxy-4-methylphenyl)-4-[4-[methyl-[2-(methylamino)ethyl]amino]-2-oxo-3H-benzimidazol-1-yl]cyclohexane-1-carboxamide?
The InChIKey is LNSHQMUBDXNAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O3/c1-17-8-11-19(16-23(17)34-4)28-25(32)18-9-12-20(13-10-18)31-22-7-5-6-21(24(22)29-26(31)33)30(3)15-14-27-2/h5-8,11,16,18,20,27H,9-10,12-15H2,1-4H3,(H,28,32)(H,29,33).
What are the key properties of N-(3-methoxy-4-methylphenyl)-4-[4-[methyl-[2-(methylamino)ethyl]amino]-2-oxo-3H-benzimidazol-1-yl]cyclohexane-1-carboxamide?
N-(3-methoxy-4-methylphenyl)-4-[4-[methyl-[2-(methylamino)ethyl]amino]-2-oxo-3H-benzimidazol-1-yl]cyclohexane-1-carboxamide has a molecular weight of 465.60 g/mol, XLogP of 3.67, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-4-methylphenyl)-4-[4-[methyl-[2-(methylamino)ethyl]amino]-2-oxo-3H-benzimidazol-1-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 153337751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).