1-[1-[6-chloro-1-(cyclobutadienyl)-5-methylbenzimidazol-2-yl]cyclopentyl]piperidine-4-carboxamide

C23H27ClN4O — CID 123529480

IUPAC1-[1-[6-chloro-1-(cyclobutadienyl)-5-methylbenzimidazol-2-yl]cyclopentyl]piperidine-4-carboxamide
SMILESCc1cc2nc(C3(N4CCC(C(N)=O)CC4)CCCC3)n(C3=CC=C3)c2cc1Cl
InChIInChI=1S/C23H27ClN4O/c1-15-13-19-20(14-18(15)24)28(17-5-4-6-17)22(26-19)23(9-2-3-10-23)27-11-7-16(8-12-27)21(25)29/h4-6,13-14,16H,2-3,7-12H2,1H3,(H2,25,29)
InChIKeyGGYLEPUXQOGJKV-UHFFFAOYSA-N
MW410.95 g/mol
LogP4.38
Rot. Bonds4

About 1-[1-[6-chloro-1-(cyclobutadienyl)-5-methylbenzimidazol-2-yl]cyclopentyl]piperidine-4-carboxamide

1-[1-[6-chloro-1-(cyclobutadienyl)-5-methylbenzimidazol-2-yl]cyclopentyl]piperidine-4-carboxamide (PubChem CID 123529480) has the molecular formula C23H27ClN4O and a molecular weight of 410.95 g/mol. Its IUPAC name is 1-[1-[6-chloro-1-(cyclobutadienyl)-5-methylbenzimidazol-2-yl]cyclopentyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[6-chloro-1-(cyclobutadienyl)-5-methylbenzimidazol-2-yl]cyclopentyl]piperidine-4-carboxamide
PubChem CID123529480
Molecular FormulaC23H27ClN4O
Molecular Weight410.95 g/mol
Exact Mass410.19
IUPAC Name1-[1-[6-chloro-1-(cyclobutadienyl)-5-methylbenzimidazol-2-yl]cyclopentyl]piperidine-4-carboxamide
SMILESCc1cc2nc(C3(N4CCC(C(N)=O)CC4)CCCC3)n(C3=CC=C3)c2cc1Cl
InChIInChI=1S/C23H27ClN4O/c1-15-13-19-20(14-18(15)24)28(17-5-4-6-17)22(26-19)23(9-2-3-10-23)27-11-7-16(8-12-27)21(25)29/h4-6,13-14,16H,2-3,7-12H2,1H3,(H2,25,29)
InChIKeyGGYLEPUXQOGJKV-UHFFFAOYSA-N
XLogP4.38
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-chloro-1-(cyclobutadienyl)-5-methylbenzimidazol-2-yl]cyclopentyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[6-chloro-1-(cyclobutadienyl)-5-methylbenzimidazol-2-yl]cyclopentyl]piperidine-4-carboxamide (CID 123529480) is 1-[1-[6-chloro-1-(cyclobutadienyl)-5-methylbenzimidazol-2-yl]cyclopentyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[6-chloro-1-(cyclobutadienyl)-5-methylbenzimidazol-2-yl]cyclopentyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[6-chloro-1-(cyclobutadienyl)-5-methylbenzimidazol-2-yl]cyclopentyl]piperidine-4-carboxamide is Cc1cc2nc(C3(N4CCC(C(N)=O)CC4)CCCC3)n(C3=CC=C3)c2cc1Cl.
What is the InChIKey of 1-[1-[6-chloro-1-(cyclobutadienyl)-5-methylbenzimidazol-2-yl]cyclopentyl]piperidine-4-carboxamide?
The InChIKey is GGYLEPUXQOGJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O/c1-15-13-19-20(14-18(15)24)28(17-5-4-6-17)22(26-19)23(9-2-3-10-23)27-11-7-16(8-12-27)21(25)29/h4-6,13-14,16H,2-3,7-12H2,1H3,(H2,25,29).
What are the key properties of 1-[1-[6-chloro-1-(cyclobutadienyl)-5-methylbenzimidazol-2-yl]cyclopentyl]piperidine-4-carboxamide?
1-[1-[6-chloro-1-(cyclobutadienyl)-5-methylbenzimidazol-2-yl]cyclopentyl]piperidine-4-carboxamide has a molecular weight of 410.95 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-chloro-1-(cyclobutadienyl)-5-methylbenzimidazol-2-yl]cyclopentyl]piperidine-4-carboxamide is sourced from PubChem (CID 123529480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).