1-[(1Z)-1-hydroxyimino-6-methyl-3,4-dihydro-2H-carbazol-9-yl]-3-(2-methylbenzimidazol-1-yl)propan-2-ol

C24H26N4O2 — CID 6510975

IUPAC1-[(1Z)-1-hydroxyimino-6-methyl-3,4-dihydro-2H-carbazol-9-yl]-3-(2-methylbenzimidazol-1-yl)propan-2-ol
SMILESCc1ccc2c(c1)c1c(n2CC(O)Cn2c(C)nc3ccccc32)/C(=N\O)CCC1
InChIInChI=1S/C24H26N4O2/c1-15-10-11-22-19(12-15)18-6-5-8-21(26-30)24(18)28(22)14-17(29)13-27-16(2)25-20-7-3-4-9-23(20)27/h3-4,7,9-12,17,29-30H,5-6,8,13-14H2,1-2H3/b26-21-
InChIKeyJGLNEYZMCHAXFN-QLYXXIJNSA-N
MW402.50 g/mol
LogP4.18
Rot. Bonds4

About 1-[(1Z)-1-hydroxyimino-6-methyl-3,4-dihydro-2H-carbazol-9-yl]-3-(2-methylbenzimidazol-1-yl)propan-2-ol

1-[(1Z)-1-hydroxyimino-6-methyl-3,4-dihydro-2H-carbazol-9-yl]-3-(2-methylbenzimidazol-1-yl)propan-2-ol (PubChem CID 6510975) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-[(1Z)-1-hydroxyimino-6-methyl-3,4-dihydro-2H-carbazol-9-yl]-3-(2-methylbenzimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[(1Z)-1-hydroxyimino-6-methyl-3,4-dihydro-2H-carbazol-9-yl]-3-(2-methylbenzimidazol-1-yl)propan-2-ol
PubChem CID6510975
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name1-[(1Z)-1-hydroxyimino-6-methyl-3,4-dihydro-2H-carbazol-9-yl]-3-(2-methylbenzimidazol-1-yl)propan-2-ol
SMILESCc1ccc2c(c1)c1c(n2CC(O)Cn2c(C)nc3ccccc32)/C(=N\O)CCC1
InChIInChI=1S/C24H26N4O2/c1-15-10-11-22-19(12-15)18-6-5-8-21(26-30)24(18)28(22)14-17(29)13-27-16(2)25-20-7-3-4-9-23(20)27/h3-4,7,9-12,17,29-30H,5-6,8,13-14H2,1-2H3/b26-21-
InChIKeyJGLNEYZMCHAXFN-QLYXXIJNSA-N
XLogP4.18
TPSA75.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1Z)-1-hydroxyimino-6-methyl-3,4-dihydro-2H-carbazol-9-yl]-3-(2-methylbenzimidazol-1-yl)propan-2-ol?
The IUPAC name of 1-[(1Z)-1-hydroxyimino-6-methyl-3,4-dihydro-2H-carbazol-9-yl]-3-(2-methylbenzimidazol-1-yl)propan-2-ol (CID 6510975) is 1-[(1Z)-1-hydroxyimino-6-methyl-3,4-dihydro-2H-carbazol-9-yl]-3-(2-methylbenzimidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-[(1Z)-1-hydroxyimino-6-methyl-3,4-dihydro-2H-carbazol-9-yl]-3-(2-methylbenzimidazol-1-yl)propan-2-ol?
The canonical SMILES for 1-[(1Z)-1-hydroxyimino-6-methyl-3,4-dihydro-2H-carbazol-9-yl]-3-(2-methylbenzimidazol-1-yl)propan-2-ol is Cc1ccc2c(c1)c1c(n2CC(O)Cn2c(C)nc3ccccc32)/C(=N\O)CCC1.
What is the InChIKey of 1-[(1Z)-1-hydroxyimino-6-methyl-3,4-dihydro-2H-carbazol-9-yl]-3-(2-methylbenzimidazol-1-yl)propan-2-ol?
The InChIKey is JGLNEYZMCHAXFN-QLYXXIJNSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-15-10-11-22-19(12-15)18-6-5-8-21(26-30)24(18)28(22)14-17(29)13-27-16(2)25-20-7-3-4-9-23(20)27/h3-4,7,9-12,17,29-30H,5-6,8,13-14H2,1-2H3/b26-21-.
What are the key properties of 1-[(1Z)-1-hydroxyimino-6-methyl-3,4-dihydro-2H-carbazol-9-yl]-3-(2-methylbenzimidazol-1-yl)propan-2-ol?
1-[(1Z)-1-hydroxyimino-6-methyl-3,4-dihydro-2H-carbazol-9-yl]-3-(2-methylbenzimidazol-1-yl)propan-2-ol has a molecular weight of 402.50 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1Z)-1-hydroxyimino-6-methyl-3,4-dihydro-2H-carbazol-9-yl]-3-(2-methylbenzimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 6510975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).