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

C22H14BrCl2N5O2 — CID 67504376

IUPACN-(5-bromo-2-pyridinyl)-2-(2,6-dichloroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide
SMILESCc1cc2c(o1)c(C(=O)Nc1ccc(Br)cn1)cc1[nH]c(Nc3c(Cl)cccc3Cl)nc12
InChIInChI=1S/C22H14BrCl2N5O2/c1-10-7-12-18-16(27-22(29-18)30-19-14(24)3-2-4-15(19)25)8-13(20(12)32-10)21(31)28-17-6-5-11(23)9-26-17/h2-9H,1H3,(H,26,28,31)(H2,27,29,30)
InChIKeyGOMBIJNPPROPTM-UHFFFAOYSA-N
MW531.20 g/mol
LogP7.08
Rot. Bonds4

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

N-(5-bromo-2-pyridinyl)-2-(2,6-dichloroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide (PubChem CID 67504376) has the molecular formula C22H14BrCl2N5O2 and a molecular weight of 531.20 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-(2,6-dichloroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-(2,6-dichloroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide
PubChem CID67504376
Molecular FormulaC22H14BrCl2N5O2
Molecular Weight531.20 g/mol
Exact Mass528.97
IUPAC NameN-(5-bromo-2-pyridinyl)-2-(2,6-dichloroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide
SMILESCc1cc2c(o1)c(C(=O)Nc1ccc(Br)cn1)cc1[nH]c(Nc3c(Cl)cccc3Cl)nc12
InChIInChI=1S/C22H14BrCl2N5O2/c1-10-7-12-18-16(27-22(29-18)30-19-14(24)3-2-4-15(19)25)8-13(20(12)32-10)21(31)28-17-6-5-11(23)9-26-17/h2-9H,1H3,(H,26,28,31)(H2,27,29,30)
InChIKeyGOMBIJNPPROPTM-UHFFFAOYSA-N
XLogP7.08
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.20
LogP ≤ 57.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-Cyclohexyl-2-[(3,5-dichloropyridin-4-yl)amino]-7,7-dimethyl-7,8-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide
CID 56968260
2-((3,5-Dichloropyridin-4-yl)amino)-N-(2-fluoro-4-(trifluoromethyl)phenyl)-7,7-dimethyl-7,8-dihydro-1H-benzofuro[4,5-d]imidazole-5-carboxamide
CID 56968267
2-[(3,5-Dichloropyridin-4-yl)amino]-7,7-dimethyl-N-[4-(trifluoromethyl)phenyl]-7,8-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide
CID 56968481
N-Cyclohexyl-2-[(2,6-dichlorophenyl)amino]-7-methyl-1H-furo[3,2-e]benzimidazole-5-carboxamide
CID 56968482
N-(Cyclopropylmethyl)-2-[(3,5-dichloropyridin-4-yl)amino]-7,7-dimethyl-7,8-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide
CID 56968711
N-(cyclohexylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
CID 56968925
2-[(3,5-dichloropyridin-4-yl)amino]-7-methyl-N-[4-(trifluoromethyl)phenyl]-3H-furo[3,2-e]benzimidazole-5-carboxamide
CID 56968927
N-(cyclohexylmethyl)-2-[(3,5-dichloro-4-pyridinyl)amino]-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide
CID 56968928
2-(2,6-dichloroanilino)-N-(6-methoxy-3-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
CID 56969153
N-(cyclopentylmethyl)-2-(2,6-dichloroanilino)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
CID 56969373
2-(2-chloro-6-fluoroanilino)-N-(cyclohexylmethyl)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide
CID 56969375
2-(2,6-dichloroanilino)-N-(2,6-dimethyl-3-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
CID 56969599

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-(2,6-dichloroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-(2,6-dichloroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide (CID 67504376) is N-(5-bromo-2-pyridinyl)-2-(2,6-dichloroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-(2,6-dichloroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-(2,6-dichloroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide is Cc1cc2c(o1)c(C(=O)Nc1ccc(Br)cn1)cc1[nH]c(Nc3c(Cl)cccc3Cl)nc12.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-(2,6-dichloroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide?
The InChIKey is GOMBIJNPPROPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrCl2N5O2/c1-10-7-12-18-16(27-22(29-18)30-19-14(24)3-2-4-15(19)25)8-13(20(12)32-10)21(31)28-17-6-5-11(23)9-26-17/h2-9H,1H3,(H,26,28,31)(H2,27,29,30).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-(2,6-dichloroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide?
N-(5-bromo-2-pyridinyl)-2-(2,6-dichloroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide has a molecular weight of 531.20 g/mol, XLogP of 7.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-(2,6-dichloroanilino)-7-methyl-3H-furo[3,2-e]benzimidazole-5-carboxamide is sourced from PubChem (CID 67504376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).