N-[(4-chlorophenyl)methyl]-6-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)benzimidazole-4-carboxamide

C25H29ClN4O3 — CID 42484927

IUPACN-[(4-chlorophenyl)methyl]-6-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)benzimidazole-4-carboxamide
SMILESCOCCn1cnc2cc(NC(=O)C3CCCCC3)cc(C(=O)NCc3ccc(Cl)cc3)c21
InChIInChI=1S/C25H29ClN4O3/c1-33-12-11-30-16-28-22-14-20(29-24(31)18-5-3-2-4-6-18)13-21(23(22)30)25(32)27-15-17-7-9-19(26)10-8-17/h7-10,13-14,16,18H,2-6,11-12,15H2,1H3,(H,27,32)(H,29,31)
InChIKeyMUKUDNGUUIUSFS-UHFFFAOYSA-N
MW468.99 g/mol
LogP4.78
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-6-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)benzimidazole-4-carboxamide

N-[(4-chlorophenyl)methyl]-6-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)benzimidazole-4-carboxamide (PubChem CID 42484927) has the molecular formula C25H29ClN4O3 and a molecular weight of 468.99 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)benzimidazole-4-carboxamide
PubChem CID42484927
Molecular FormulaC25H29ClN4O3
Molecular Weight468.99 g/mol
Exact Mass468.19
IUPAC NameN-[(4-chlorophenyl)methyl]-6-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)benzimidazole-4-carboxamide
SMILESCOCCn1cnc2cc(NC(=O)C3CCCCC3)cc(C(=O)NCc3ccc(Cl)cc3)c21
InChIInChI=1S/C25H29ClN4O3/c1-33-12-11-30-16-28-22-14-20(29-24(31)18-5-3-2-4-6-18)13-21(23(22)30)25(32)27-15-17-7-9-19(26)10-8-17/h7-10,13-14,16,18H,2-6,11-12,15H2,1H3,(H,27,32)(H,29,31)
InChIKeyMUKUDNGUUIUSFS-UHFFFAOYSA-N
XLogP4.78
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.99
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-methoxyethyl)-7-[(2S)-2-methylpiperidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 42485139
6-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide
CID 45173849
N-[1-(2-methoxyethyl)-7-[(2R)-2-(2-methoxyethyl)piperidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 42432476
N-[1-(2-methoxyethyl)-7-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 42432337
N-cycloheptyl-3-[(4-fluorophenyl)methyl]-6-[(2-methoxyacetyl)amino]benzimidazole-4-carboxamide
CID 42170685
N-[(4-chlorophenyl)methyl]-4-(cyclobutanecarbonylamino)-2-morpholin-4-ylbenzamide
CID 53146106
N-[2-(4-chlorophenyl)benzotriazol-5-yl]cyclohexanecarboxamide
CID 23848322
N-[2-[(4-chlorophenyl)methylcarbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide
CID 121063337
2-(azepan-1-yl)-4-(cyclopropanecarbonylamino)-N-[(4-methoxyphenyl)methyl]benzamide
CID 53146004
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]cyclopentanecarboxamide
CID 91774846
N-[(3-chloro-4-methoxyphenyl)methyl]-2-(cyclohexanecarbonylamino)-5-methylthiophene-3-carboxamide
CID 70086267
N-[6-(2-methoxyethylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113010320

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)benzimidazole-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)benzimidazole-4-carboxamide (CID 42484927) is N-[(4-chlorophenyl)methyl]-6-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)benzimidazole-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)benzimidazole-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)benzimidazole-4-carboxamide is COCCn1cnc2cc(NC(=O)C3CCCCC3)cc(C(=O)NCc3ccc(Cl)cc3)c21.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)benzimidazole-4-carboxamide?
The InChIKey is MUKUDNGUUIUSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O3/c1-33-12-11-30-16-28-22-14-20(29-24(31)18-5-3-2-4-6-18)13-21(23(22)30)25(32)27-15-17-7-9-19(26)10-8-17/h7-10,13-14,16,18H,2-6,11-12,15H2,1H3,(H,27,32)(H,29,31).
What are the key properties of N-[(4-chlorophenyl)methyl]-6-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)benzimidazole-4-carboxamide?
N-[(4-chlorophenyl)methyl]-6-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)benzimidazole-4-carboxamide has a molecular weight of 468.99 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-6-(cyclohexanecarbonylamino)-3-(2-methoxyethyl)benzimidazole-4-carboxamide is sourced from PubChem (CID 42484927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).