13-chloro-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

C23H25ClN4 — CID 10111148

IUPAC13-chloro-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
SMILESClc1ccc2c(c1)CCc1cccnc1C2N1CCC[C@H](Cn2ccnc2)C1
InChIInChI=1S/C23H25ClN4/c24-20-7-8-21-19(13-20)6-5-18-4-1-9-26-22(18)23(21)28-11-2-3-17(15-28)14-27-12-10-25-16-27/h1,4,7-10,12-13,16-17,23H,2-3,5-6,11,14-15H2/t17-,23?/m1/s1
InChIKeyMTRKFNHAQDTPOP-LIXIDFRTSA-N
MW392.93 g/mol
LogP4.53
Rot. Bonds3

About 13-chloro-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

13-chloro-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene (PubChem CID 10111148) has the molecular formula C23H25ClN4 and a molecular weight of 392.93 g/mol. Its IUPAC name is 13-chloro-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene.

Molecular Properties

Compound Name13-chloro-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
PubChem CID10111148
Molecular FormulaC23H25ClN4
Molecular Weight392.93 g/mol
Exact Mass392.18
IUPAC Name13-chloro-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
SMILESClc1ccc2c(c1)CCc1cccnc1C2N1CCC[C@H](Cn2ccnc2)C1
InChIInChI=1S/C23H25ClN4/c24-20-7-8-21-19(13-20)6-5-18-4-1-9-26-22(18)23(21)28-11-2-3-17(15-28)14-27-12-10-25-16-27/h1,4,7-10,12-13,16-17,23H,2-3,5-6,11,14-15H2/t17-,23?/m1/s1
InChIKeyMTRKFNHAQDTPOP-LIXIDFRTSA-N
XLogP4.53
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 13-chloro-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene 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

2-(4-Chlorophenyl)imidazo(1,2-a)pyridine
CID 745769
Cyclopropyl-(4-(5-(3,4-Dichlorophenyl)-2-((1-Methyl)-Piperidin)-4-Yl-3-Propyl-3h-Imidazol-4-Yl)-Pyrimidin-2-Yl)Amine
CID 447872
Cyclohexyl-(4-(5-(3,4-Dichlorophenyl)-2-Piperidin-4-Yl-3-Propyl-3h-Imidazol-4-Yl)-Pyrimidin-2-Yl)Amine
CID 447873
BU-E 47
CID 14660352
1-(4-Chlorobenzyl)-5-phenyl-1H-imidazole
CID 45103809
3-(3-Chlorophenyl)-N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl}propan-1-Amine
CID 118656319
Imidazole derivative 8
CID 54670731
4-[2-(4-Chlorophenyl)-7-dimethylaminomethylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 24745380
4-[(11S)-8-Chloro-6-[(1-methyl-1H-imidazol-5-yl)methyl]-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl]-N-(4-cyanophenyl)-1-piperazinecarboxamide
CID 46231823
6-(4-Chlorophenyl)-2-phenylimidazo[1,2-a]pyridine
CID 58880630
2-(4-Chlorophenyl)-8-methylimidazo[1,2-a]pyridine
CID 3703860
5-[(4-Chlorophenyl)methyl]-2-phenyl-imidazo[4,5-c]pyridine
CID 10066826

Frequently Asked Questions

What is the IUPAC name of 13-chloro-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
The IUPAC name of 13-chloro-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene (CID 10111148) is 13-chloro-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene.
What is the SMILES notation for 13-chloro-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
The canonical SMILES for 13-chloro-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene is Clc1ccc2c(c1)CCc1cccnc1C2N1CCC[C@H](Cn2ccnc2)C1.
What is the InChIKey of 13-chloro-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
The InChIKey is MTRKFNHAQDTPOP-LIXIDFRTSA-N. The full InChI is InChI=1S/C23H25ClN4/c24-20-7-8-21-19(13-20)6-5-18-4-1-9-26-22(18)23(21)28-11-2-3-17(15-28)14-27-12-10-25-16-27/h1,4,7-10,12-13,16-17,23H,2-3,5-6,11,14-15H2/t17-,23?/m1/s1.
What are the key properties of 13-chloro-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
13-chloro-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene has a molecular weight of 392.93 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-chloro-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene is sourced from PubChem (CID 10111148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).