tert-butyl 4-(6-chloro-2-methylbenzimidazol-1-yl)piperidine-1-carboxylate

C18H24ClN3O2 — CID 176901245

IUPACtert-butyl 4-(6-chloro-2-methylbenzimidazol-1-yl)piperidine-1-carboxylate
SMILESCc1nc2ccc(Cl)cc2n1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H24ClN3O2/c1-12-20-15-6-5-13(19)11-16(15)22(12)14-7-9-21(10-8-14)17(23)24-18(2,3)4/h5-6,11,14H,7-10H2,1-4H3
InChIKeyCKUAKNDGZRDCBF-UHFFFAOYSA-N
MW349.86 g/mol
LogP4.57
Rot. Bonds1

About tert-butyl 4-(6-chloro-2-methylbenzimidazol-1-yl)piperidine-1-carboxylate

tert-butyl 4-(6-chloro-2-methylbenzimidazol-1-yl)piperidine-1-carboxylate (PubChem CID 176901245) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is tert-butyl 4-(6-chloro-2-methylbenzimidazol-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-chloro-2-methylbenzimidazol-1-yl)piperidine-1-carboxylate
PubChem CID176901245
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Nametert-butyl 4-(6-chloro-2-methylbenzimidazol-1-yl)piperidine-1-carboxylate
SMILESCc1nc2ccc(Cl)cc2n1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H24ClN3O2/c1-12-20-15-6-5-13(19)11-16(15)22(12)14-7-9-21(10-8-14)17(23)24-18(2,3)4/h5-6,11,14H,7-10H2,1-4H3
InChIKeyCKUAKNDGZRDCBF-UHFFFAOYSA-N
XLogP4.57
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(7-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-1-carboxylate
CID 156889220
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CID 118515965
tert-butyl 4-[(6-chloroquinoline-2-carbonyl)amino]piperidine-1-carboxylate
CID 139512502
tert-butyl 4-[5-[4-chloro-2-(2-hydroxypropan-2-yl)phenyl]-3-methyl-1,2,4-triazol-1-yl]piperidine-1-carboxylate
CID 167923660
tert-butyl 4-(2,4-dichlorophenyl)piperidine-1-carboxylate
CID 69189630
tert-butyl 4-(5-chloro-2-methylbenzoyl)piperidine-1-carboxylate
CID 58539966
ethyl 4-[6-[(4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]benzimidazol-1-yl]piperidine-1-carboxylate
CID 126616161
tert-butyl 4-(4-chloro-2-hydroxyphenyl)piperidine-1-carboxylate
CID 58222053
tert-butyl 4-[[(6-chloroquinoline-2-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 155391643
tert-butyl 4-[2-(2-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]piperidine-1-carboxylate
CID 118578181
[4-(2,6-dimethylbenzimidazol-1-yl)piperidin-1-yl]-(1-methylcyclopropyl)methanone
CID 46109071
tert-butyl (3R,4R)-4-(3,6-dichlorocarbazol-9-yl)-3-hydroxypiperidine-1-carboxylate
CID 90279960

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-chloro-2-methylbenzimidazol-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-chloro-2-methylbenzimidazol-1-yl)piperidine-1-carboxylate (CID 176901245) is tert-butyl 4-(6-chloro-2-methylbenzimidazol-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-chloro-2-methylbenzimidazol-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-chloro-2-methylbenzimidazol-1-yl)piperidine-1-carboxylate is Cc1nc2ccc(Cl)cc2n1C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(6-chloro-2-methylbenzimidazol-1-yl)piperidine-1-carboxylate?
The InChIKey is CKUAKNDGZRDCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-12-20-15-6-5-13(19)11-16(15)22(12)14-7-9-21(10-8-14)17(23)24-18(2,3)4/h5-6,11,14H,7-10H2,1-4H3.
What are the key properties of tert-butyl 4-(6-chloro-2-methylbenzimidazol-1-yl)piperidine-1-carboxylate?
tert-butyl 4-(6-chloro-2-methylbenzimidazol-1-yl)piperidine-1-carboxylate has a molecular weight of 349.86 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-chloro-2-methylbenzimidazol-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 176901245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).