1-[4-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]cyclopentane-1-carboxamide

C23H25N3O2 — CID 67576645

IUPAC1-[4-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]cyclopentane-1-carboxamide
SMILESCc1nccn1-c1ccc(COc2ccc(C3(C(N)=O)CCCC3)cc2)cc1
InChIInChI=1S/C23H25N3O2/c1-17-25-14-15-26(17)20-8-4-18(5-9-20)16-28-21-10-6-19(7-11-21)23(22(24)27)12-2-3-13-23/h4-11,14-15H,2-3,12-13,16H2,1H3,(H2,24,27)
InChIKeyGWEIECXVMPMKBB-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.06
Rot. Bonds6

About 1-[4-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]cyclopentane-1-carboxamide

1-[4-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]cyclopentane-1-carboxamide (PubChem CID 67576645) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[4-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]cyclopentane-1-carboxamide
PubChem CID67576645
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-[4-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]cyclopentane-1-carboxamide
SMILESCc1nccn1-c1ccc(COc2ccc(C3(C(N)=O)CCCC3)cc2)cc1
InChIInChI=1S/C23H25N3O2/c1-17-25-14-15-26(17)20-8-4-18(5-9-20)16-28-21-10-6-19(7-11-21)23(22(24)27)12-2-3-13-23/h4-11,14-15H,2-3,12-13,16H2,1H3,(H2,24,27)
InChIKeyGWEIECXVMPMKBB-UHFFFAOYSA-N
XLogP4.06
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-[4-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]cyclopentane-1-carboxamide (CID 67576645) is 1-[4-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[4-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-[4-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]cyclopentane-1-carboxamide is Cc1nccn1-c1ccc(COc2ccc(C3(C(N)=O)CCCC3)cc2)cc1.
What is the InChIKey of 1-[4-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]cyclopentane-1-carboxamide?
The InChIKey is GWEIECXVMPMKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-17-25-14-15-26(17)20-8-4-18(5-9-20)16-28-21-10-6-19(7-11-21)23(22(24)27)12-2-3-13-23/h4-11,14-15H,2-3,12-13,16H2,1H3,(H2,24,27).
What are the key properties of 1-[4-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]cyclopentane-1-carboxamide?
1-[4-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]cyclopentane-1-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 67576645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).