methyl 2-(2-chloroanilino)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxylate

C19H18ClN3O3 — CID 67504026

IUPACmethyl 2-(2-chloroanilino)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxylate
SMILESCOC(=O)c1cc2[nH]c(Nc3ccccc3Cl)nc2c2c1OC(C)(C)C2
InChIInChI=1S/C19H18ClN3O3/c1-19(2)9-11-15-14(8-10(16(11)26-19)17(24)25-3)22-18(23-15)21-13-7-5-4-6-12(13)20/h4-8H,9H2,1-3H3,(H2,21,22,23)
InChIKeyHTMQCDMHHDFWSO-UHFFFAOYSA-N
MW371.82 g/mol
LogP4.46
Rot. Bonds3

About methyl 2-(2-chloroanilino)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxylate

methyl 2-(2-chloroanilino)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxylate (PubChem CID 67504026) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is methyl 2-(2-chloroanilino)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-chloroanilino)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxylate
PubChem CID67504026
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Namemethyl 2-(2-chloroanilino)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxylate
SMILESCOC(=O)c1cc2[nH]c(Nc3ccccc3Cl)nc2c2c1OC(C)(C)C2
InChIInChI=1S/C19H18ClN3O3/c1-19(2)9-11-15-14(8-10(16(11)26-19)17(24)25-3)22-18(23-15)21-13-7-5-4-6-12(13)20/h4-8H,9H2,1-3H3,(H2,21,22,23)
InChIKeyHTMQCDMHHDFWSO-UHFFFAOYSA-N
XLogP4.46
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-(2-chloroanilino)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxylate
CID 67503514
2-(2,6-dichloroanilino)-7,7-dimethyl-N-[2-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
CID 56969811
2-(2,6-dichloroanilino)-N-(2,6-dimethyl-3-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
CID 56969599
2-(2-chloro-6-methylanilino)-7,7-dimethyl-N-(2,4,5-trifluorophenyl)-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
CID 67503482
2-(2-chloro-6-fluoroanilino)-N-(5-chloro-2-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
CID 56970893
(Z)-but-2-enedioic acid;2-(2-chloro-6-fluoroanilino)-7,7-dimethyl-N-[4-(trifluoromethyl)phenyl]-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
CID 67503578
methyl 7-(2,6-dichloroanilino)-2-methyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxylate
CID 67503962
methyl 2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-1,2,3,8-tetrahydrofuro[3,2-e]benzimidazole-5-carboxylate
CID 67503515
methyl 6-chloro-2,2-dimethyl-3H-1-benzofuran-4-carboxylate
CID 58566406
methyl 5-amino-2-(2-chloroanilino)benzoate
CID 61305288
N-(2-chlorophenyl)-1H-benzimidazol-2-amine
CID 4088446
methyl 5-chloro-2,2-dimethyl-3H-1-benzofuran-4-carboxylate
CID 58566507

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chloroanilino)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxylate?
The IUPAC name of methyl 2-(2-chloroanilino)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxylate (CID 67504026) is methyl 2-(2-chloroanilino)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 2-(2-chloroanilino)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxylate?
The canonical SMILES for methyl 2-(2-chloroanilino)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxylate is COC(=O)c1cc2[nH]c(Nc3ccccc3Cl)nc2c2c1OC(C)(C)C2.
What is the InChIKey of methyl 2-(2-chloroanilino)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxylate?
The InChIKey is HTMQCDMHHDFWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-19(2)9-11-15-14(8-10(16(11)26-19)17(24)25-3)22-18(23-15)21-13-7-5-4-6-12(13)20/h4-8H,9H2,1-3H3,(H2,21,22,23).
What are the key properties of methyl 2-(2-chloroanilino)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxylate?
methyl 2-(2-chloroanilino)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxylate has a molecular weight of 371.82 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chloroanilino)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxylate is sourced from PubChem (CID 67504026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).