[4-[4-(1H-imidazol-2-yl)-2-methylphenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone;hydrochloride

C32H33ClN4O2 — CID 44533190

IUPAC[4-[4-(1H-imidazol-2-yl)-2-methylphenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone;hydrochloride
SMILESCc1cc(-c2ncc[nH]2)ccc1-c1ccc(C(=O)N2CCc3cc4c(cc32)C2(CCN(C)CC2)CO4)cc1.Cl
InChIInChI=1S/C32H32N4O2.ClH/c1-21-17-25(30-33-12-13-34-30)7-8-26(21)22-3-5-23(6-4-22)31(37)36-14-9-24-18-29-27(19-28(24)36)32(20-38-29)10-15-35(2)16-11-32;/h3-8,12-13,17-19H,9-11,14-16,20H2,1-2H3,(H,33,34);1H
InChIKeyGMVGEUSDWLFXDU-UHFFFAOYSA-N
MW541.10 g/mol
LogP6.03
Rot. Bonds3

About [4-[4-(1H-imidazol-2-yl)-2-methylphenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone;hydrochloride

[4-[4-(1H-imidazol-2-yl)-2-methylphenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone;hydrochloride (PubChem CID 44533190) has the molecular formula C32H33ClN4O2 and a molecular weight of 541.10 g/mol. Its IUPAC name is [4-[4-(1H-imidazol-2-yl)-2-methylphenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-[4-(1H-imidazol-2-yl)-2-methylphenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone;hydrochloride
PubChem CID44533190
Molecular FormulaC32H33ClN4O2
Molecular Weight541.10 g/mol
Exact Mass540.23
IUPAC Name[4-[4-(1H-imidazol-2-yl)-2-methylphenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone;hydrochloride
SMILESCc1cc(-c2ncc[nH]2)ccc1-c1ccc(C(=O)N2CCc3cc4c(cc32)C2(CCN(C)CC2)CO4)cc1.Cl
InChIInChI=1S/C32H32N4O2.ClH/c1-21-17-25(30-33-12-13-34-30)7-8-26(21)22-3-5-23(6-4-22)31(37)36-14-9-24-18-29-27(19-28(24)36)32(20-38-29)10-15-35(2)16-11-32;/h3-8,12-13,17-19H,9-11,14-16,20H2,1-2H3,(H,33,34);1H
InChIKeyGMVGEUSDWLFXDU-UHFFFAOYSA-N
XLogP6.03
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.10
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[4-(1H-imidazol-2-yl)-2-methylphenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

SB 224289
CID 3378093
SB 224289 hydrochloride
CID 11226716
(S)-7-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamido)-7-(5-(naphthalen-2-yl)-1H-imidazol-2-yl)heptanamide
CID 11657529
(S)-2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(1-(5-(naphthalen-2-yl)-1H-imidazol-2-yl)-7-oxononyl)acetamide
CID 44574064
(S)-7-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamido)-N-methyl-7-(5-(naphthalen-2-yl)-1H-imidazol-2-yl)heptanamide
CID 44574070
(S)-N-ethyl-7-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamido)-7-(5-(naphthalen-2-yl)-1H-imidazol-2-yl)heptanamide
CID 44574125
(S)-N-isopropyl-7-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamido)-7-(5-(naphthalen-2-yl)-1H-imidazol-2-yl)heptanamide
CID 44574126
(S)-N-benzyl-7-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamido)-7-(5-(naphthalen-2-yl)-1H-imidazol-2-yl)heptanamide
CID 44574127
(S)-7-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamido)-7-(5-(naphthalen-2-yl)-1H-imidazol-2-yl)-N-phenylheptanamide
CID 44574128
(S)-7-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamido)-N,N-dimethyl-7-(5-(naphthalen-2-yl)-1H-imidazol-2-yl)heptanamide
CID 44574129
(S)-N-(2-aminophenyl)-7-(2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamido)-7-(5-(naphthalen-2-yl)-1H-imidazol-2-yl)heptanamide
CID 44574131
Tuberculosis inhibitor 1
CID 135151445

Frequently Asked Questions

What is the IUPAC name of [4-[4-(1H-imidazol-2-yl)-2-methylphenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone;hydrochloride?
The IUPAC name of [4-[4-(1H-imidazol-2-yl)-2-methylphenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone;hydrochloride (CID 44533190) is [4-[4-(1H-imidazol-2-yl)-2-methylphenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone;hydrochloride.
What is the SMILES notation for [4-[4-(1H-imidazol-2-yl)-2-methylphenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone;hydrochloride?
The canonical SMILES for [4-[4-(1H-imidazol-2-yl)-2-methylphenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone;hydrochloride is Cc1cc(-c2ncc[nH]2)ccc1-c1ccc(C(=O)N2CCc3cc4c(cc32)C2(CCN(C)CC2)CO4)cc1.Cl.
What is the InChIKey of [4-[4-(1H-imidazol-2-yl)-2-methylphenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone;hydrochloride?
The InChIKey is GMVGEUSDWLFXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O2.ClH/c1-21-17-25(30-33-12-13-34-30)7-8-26(21)22-3-5-23(6-4-22)31(37)36-14-9-24-18-29-27(19-28(24)36)32(20-38-29)10-15-35(2)16-11-32;/h3-8,12-13,17-19H,9-11,14-16,20H2,1-2H3,(H,33,34);1H.
What are the key properties of [4-[4-(1H-imidazol-2-yl)-2-methylphenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone;hydrochloride?
[4-[4-(1H-imidazol-2-yl)-2-methylphenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone;hydrochloride has a molecular weight of 541.10 g/mol, XLogP of 6.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(1H-imidazol-2-yl)-2-methylphenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone;hydrochloride is sourced from PubChem (CID 44533190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).