13-chloro-10-[(2-methylimidazol-1-yl)methyl]-2-piperazin-1-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene

C23H24ClN5 — CID 20633190

IUPAC13-chloro-10-[(2-methylimidazol-1-yl)methyl]-2-piperazin-1-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
SMILESCc1nccn1CC1=Cc2cccnc2C(N2CCNCC2)c2ccc(Cl)cc21
InChIInChI=1S/C23H24ClN5/c1-16-26-9-12-29(16)15-18-13-17-3-2-6-27-22(17)23(28-10-7-25-8-11-28)20-5-4-19(24)14-21(18)20/h2-6,9,12-14,23,25H,7-8,10-11,15H2,1H3
InChIKeyNIBPGUWTTSNFAL-UHFFFAOYSA-N
MW405.93 g/mol
LogP3.79
Rot. Bonds3

About 13-chloro-10-[(2-methylimidazol-1-yl)methyl]-2-piperazin-1-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene

13-chloro-10-[(2-methylimidazol-1-yl)methyl]-2-piperazin-1-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene (PubChem CID 20633190) has the molecular formula C23H24ClN5 and a molecular weight of 405.93 g/mol. Its IUPAC name is 13-chloro-10-[(2-methylimidazol-1-yl)methyl]-2-piperazin-1-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene.

Molecular Properties

Compound Name13-chloro-10-[(2-methylimidazol-1-yl)methyl]-2-piperazin-1-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
PubChem CID20633190
Molecular FormulaC23H24ClN5
Molecular Weight405.93 g/mol
Exact Mass405.17
IUPAC Name13-chloro-10-[(2-methylimidazol-1-yl)methyl]-2-piperazin-1-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
SMILESCc1nccn1CC1=Cc2cccnc2C(N2CCNCC2)c2ccc(Cl)cc21
InChIInChI=1S/C23H24ClN5/c1-16-26-9-12-29(16)15-18-13-17-3-2-6-27-22(17)23(28-10-7-25-8-11-28)20-5-4-19(24)14-21(18)20/h2-6,9,12-14,23,25H,7-8,10-11,15H2,1H3
InChIKeyNIBPGUWTTSNFAL-UHFFFAOYSA-N
XLogP3.79
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 13-chloro-10-[(2-methylimidazol-1-yl)methyl]-2-piperazin-1-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 13-chloro-10-[(2-methylimidazol-1-yl)methyl]-2-piperazin-1-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
The IUPAC name of 13-chloro-10-[(2-methylimidazol-1-yl)methyl]-2-piperazin-1-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene (CID 20633190) is 13-chloro-10-[(2-methylimidazol-1-yl)methyl]-2-piperazin-1-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene.
What is the SMILES notation for 13-chloro-10-[(2-methylimidazol-1-yl)methyl]-2-piperazin-1-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
The canonical SMILES for 13-chloro-10-[(2-methylimidazol-1-yl)methyl]-2-piperazin-1-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene is Cc1nccn1CC1=Cc2cccnc2C(N2CCNCC2)c2ccc(Cl)cc21.
What is the InChIKey of 13-chloro-10-[(2-methylimidazol-1-yl)methyl]-2-piperazin-1-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
The InChIKey is NIBPGUWTTSNFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5/c1-16-26-9-12-29(16)15-18-13-17-3-2-6-27-22(17)23(28-10-7-25-8-11-28)20-5-4-19(24)14-21(18)20/h2-6,9,12-14,23,25H,7-8,10-11,15H2,1H3.
What are the key properties of 13-chloro-10-[(2-methylimidazol-1-yl)methyl]-2-piperazin-1-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
13-chloro-10-[(2-methylimidazol-1-yl)methyl]-2-piperazin-1-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene has a molecular weight of 405.93 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-chloro-10-[(2-methylimidazol-1-yl)methyl]-2-piperazin-1-yl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene is sourced from PubChem (CID 20633190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).