2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[2-oxo-3-[2-oxo-2-(oxolan-3-ylamino)ethyl]imidazol-1-yl]benzamide

C24H31ClN4O5 — CID 22041611

IUPAC2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[2-oxo-3-[2-oxo-2-(oxolan-3-ylamino)ethyl]imidazol-1-yl]benzamide
SMILESO=C(Cn1ccn(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)c1=O)NC1CCOC1
InChIInChI=1S/C24H31ClN4O5/c25-20-6-5-18(13-19(20)22(31)26-16-24(33)8-3-1-2-4-9-24)29-11-10-28(23(29)32)14-21(30)27-17-7-12-34-15-17/h5-6,10-11,13,17,33H,1-4,7-9,12,14-16H2,(H,26,31)(H,27,30)
InChIKeyHOBQNMQTKLFRMT-UHFFFAOYSA-N
MW490.99 g/mol
LogP2.01
Rot. Bonds7

About 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[2-oxo-3-[2-oxo-2-(oxolan-3-ylamino)ethyl]imidazol-1-yl]benzamide

2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[2-oxo-3-[2-oxo-2-(oxolan-3-ylamino)ethyl]imidazol-1-yl]benzamide (PubChem CID 22041611) has the molecular formula C24H31ClN4O5 and a molecular weight of 490.99 g/mol. Its IUPAC name is 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[2-oxo-3-[2-oxo-2-(oxolan-3-ylamino)ethyl]imidazol-1-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[2-oxo-3-[2-oxo-2-(oxolan-3-ylamino)ethyl]imidazol-1-yl]benzamide
PubChem CID22041611
Molecular FormulaC24H31ClN4O5
Molecular Weight490.99 g/mol
Exact Mass490.20
IUPAC Name2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[2-oxo-3-[2-oxo-2-(oxolan-3-ylamino)ethyl]imidazol-1-yl]benzamide
SMILESO=C(Cn1ccn(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)c1=O)NC1CCOC1
InChIInChI=1S/C24H31ClN4O5/c25-20-6-5-18(13-19(20)22(31)26-16-24(33)8-3-1-2-4-9-24)29-11-10-28(23(29)32)14-21(30)27-17-7-12-34-15-17/h5-6,10-11,13,17,33H,1-4,7-9,12,14-16H2,(H,26,31)(H,27,30)
InChIKeyHOBQNMQTKLFRMT-UHFFFAOYSA-N
XLogP2.01
TPSA114.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.99
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[2-oxo-3-[2-oxo-2-(oxolan-3-ylamino)ethyl]imidazol-1-yl]benzamide?
The IUPAC name of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[2-oxo-3-[2-oxo-2-(oxolan-3-ylamino)ethyl]imidazol-1-yl]benzamide (CID 22041611) is 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[2-oxo-3-[2-oxo-2-(oxolan-3-ylamino)ethyl]imidazol-1-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[2-oxo-3-[2-oxo-2-(oxolan-3-ylamino)ethyl]imidazol-1-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[2-oxo-3-[2-oxo-2-(oxolan-3-ylamino)ethyl]imidazol-1-yl]benzamide is O=C(Cn1ccn(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)c1=O)NC1CCOC1.
What is the InChIKey of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[2-oxo-3-[2-oxo-2-(oxolan-3-ylamino)ethyl]imidazol-1-yl]benzamide?
The InChIKey is HOBQNMQTKLFRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN4O5/c25-20-6-5-18(13-19(20)22(31)26-16-24(33)8-3-1-2-4-9-24)29-11-10-28(23(29)32)14-21(30)27-17-7-12-34-15-17/h5-6,10-11,13,17,33H,1-4,7-9,12,14-16H2,(H,26,31)(H,27,30).
What are the key properties of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[2-oxo-3-[2-oxo-2-(oxolan-3-ylamino)ethyl]imidazol-1-yl]benzamide?
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[2-oxo-3-[2-oxo-2-(oxolan-3-ylamino)ethyl]imidazol-1-yl]benzamide has a molecular weight of 490.99 g/mol, XLogP of 2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[2-oxo-3-[2-oxo-2-(oxolan-3-ylamino)ethyl]imidazol-1-yl]benzamide is sourced from PubChem (CID 22041611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).