N-cyclohexyl-2-(2,6-dichloroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide

C23H22Cl2N4O2 — CID 56968482

IUPACN-cyclohexyl-2-(2,6-dichloroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide
SMILESCc1cc2c(o1)c(C(=O)NC1CCCCC1)cc1[nH]c(Nc3c(Cl)cccc3Cl)nc12
InChIInChI=1S/C23H22Cl2N4O2/c1-12-10-14-19-18(27-23(28-19)29-20-16(24)8-5-9-17(20)25)11-15(21(14)31-12)22(30)26-13-6-3-2-4-7-13/h5,8-11,13H,2-4,6-7H2,1H3,(H,26,30)(H2,27,28,29)
InChIKeyHMSNHVDJLVCERO-UHFFFAOYSA-N
MW457.36 g/mol
LogP6.73
Rot. Bonds4

About N-cyclohexyl-2-(2,6-dichloroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide

N-cyclohexyl-2-(2,6-dichloroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide (PubChem CID 56968482) has the molecular formula C23H22Cl2N4O2 and a molecular weight of 457.36 g/mol. Its IUPAC name is N-cyclohexyl-2-(2,6-dichloroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2,6-dichloroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide
PubChem CID56968482
Molecular FormulaC23H22Cl2N4O2
Molecular Weight457.36 g/mol
Exact Mass456.11
IUPAC NameN-cyclohexyl-2-(2,6-dichloroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide
SMILESCc1cc2c(o1)c(C(=O)NC1CCCCC1)cc1[nH]c(Nc3c(Cl)cccc3Cl)nc12
InChIInChI=1S/C23H22Cl2N4O2/c1-12-10-14-19-18(27-23(28-19)29-20-16(24)8-5-9-17(20)25)11-15(21(14)31-12)22(30)26-13-6-3-2-4-7-13/h5,8-11,13H,2-4,6-7H2,1H3,(H,26,30)(H2,27,28,29)
InChIKeyHMSNHVDJLVCERO-UHFFFAOYSA-N
XLogP6.73
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.36
LogP ≤ 56.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2,6-dichloroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-2-(2,6-dichloroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide (CID 56968482) is N-cyclohexyl-2-(2,6-dichloroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(2,6-dichloroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(2,6-dichloroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide is Cc1cc2c(o1)c(C(=O)NC1CCCCC1)cc1[nH]c(Nc3c(Cl)cccc3Cl)nc12.
What is the InChIKey of N-cyclohexyl-2-(2,6-dichloroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide?
The InChIKey is HMSNHVDJLVCERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N4O2/c1-12-10-14-19-18(27-23(28-19)29-20-16(24)8-5-9-17(20)25)11-15(21(14)31-12)22(30)26-13-6-3-2-4-7-13/h5,8-11,13H,2-4,6-7H2,1H3,(H,26,30)(H2,27,28,29).
What are the key properties of N-cyclohexyl-2-(2,6-dichloroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide?
N-cyclohexyl-2-(2,6-dichloroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide has a molecular weight of 457.36 g/mol, XLogP of 6.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2,6-dichloroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 56968482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).