N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide

C23H27N3O2 — CID 16968443

IUPACN-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
SMILESCOc1ccccc1Cn1c(CNC(=O)C2CCCCC2)nc2ccccc21
InChIInChI=1S/C23H27N3O2/c1-28-21-14-8-5-11-18(21)16-26-20-13-7-6-12-19(20)25-22(26)15-24-23(27)17-9-3-2-4-10-17/h5-8,11-14,17H,2-4,9-10,15-16H2,1H3,(H,24,27)
InChIKeySALLMXCTACKFPV-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.29
Rot. Bonds6

About N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide

N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide (PubChem CID 16968443) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
PubChem CID16968443
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
SMILESCOc1ccccc1Cn1c(CNC(=O)C2CCCCC2)nc2ccccc21
InChIInChI=1S/C23H27N3O2/c1-28-21-14-8-5-11-18(21)16-26-20-13-7-6-12-19(20)25-22(26)15-24-23(27)17-9-3-2-4-10-17/h5-8,11-14,17H,2-4,9-10,15-16H2,1H3,(H,24,27)
InChIKeySALLMXCTACKFPV-UHFFFAOYSA-N
XLogP4.29
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 17006062
N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969493
N-[[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 16968441
N-[(1-octylbenzimidazol-2-yl)methyl]cyclohexanecarboxamide
CID 16968415
N-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 17029165
N-[2-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 18888795
N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969775
N-[[1-[2-(3-methoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 17029158
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]cyclohexanecarboxamide
CID 16968451
N-[3-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 18888880
1-[(2-methoxyphenyl)methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 24793824
(3R)-N-[(2-methoxyphenyl)methyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 51492751

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide (CID 16968443) is N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide is COc1ccccc1Cn1c(CNC(=O)C2CCCCC2)nc2ccccc21.
What is the InChIKey of N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide?
The InChIKey is SALLMXCTACKFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-28-21-14-8-5-11-18(21)16-26-20-13-7-6-12-19(20)25-22(26)15-24-23(27)17-9-3-2-4-10-17/h5-8,11-14,17H,2-4,9-10,15-16H2,1H3,(H,24,27).
What are the key properties of N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide?
N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 16968443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).