1-[[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-3-(3-phenylcyclobutyl)urea

C20H26N4O — CID 124886059

IUPAC1-[[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-3-(3-phenylcyclobutyl)urea
SMILESCc1cn2c(n1)[C@H](CNC(=O)NC1CC(c3ccccc3)C1)CCC2
InChIInChI=1S/C20H26N4O/c1-14-13-24-9-5-8-16(19(24)22-14)12-21-20(25)23-18-10-17(11-18)15-6-3-2-4-7-15/h2-4,6-7,13,16-18H,5,8-12H2,1H3,(H2,21,23,25)/t16-,17?,18?/m0/s1
InChIKeyLOMVLPDPYBUYDE-AOCRQIFASA-N
MW338.45 g/mol
LogP3.31
Rot. Bonds4

About 1-[[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-3-(3-phenylcyclobutyl)urea

1-[[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-3-(3-phenylcyclobutyl)urea (PubChem CID 124886059) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-3-(3-phenylcyclobutyl)urea.

Molecular Properties

Compound Name1-[[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-3-(3-phenylcyclobutyl)urea
PubChem CID124886059
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name1-[[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-3-(3-phenylcyclobutyl)urea
SMILESCc1cn2c(n1)[C@H](CNC(=O)NC1CC(c3ccccc3)C1)CCC2
InChIInChI=1S/C20H26N4O/c1-14-13-24-9-5-8-16(19(24)22-14)12-21-20(25)23-18-10-17(11-18)15-6-3-2-4-7-15/h2-4,6-7,13,16-18H,5,8-12H2,1H3,(H2,21,23,25)/t16-,17?,18?/m0/s1
InChIKeyLOMVLPDPYBUYDE-AOCRQIFASA-N
XLogP3.31
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-3-(3-phenylcyclobutyl)urea?
The IUPAC name of 1-[[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-3-(3-phenylcyclobutyl)urea (CID 124886059) is 1-[[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-3-(3-phenylcyclobutyl)urea.
What is the SMILES notation for 1-[[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-3-(3-phenylcyclobutyl)urea?
The canonical SMILES for 1-[[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-3-(3-phenylcyclobutyl)urea is Cc1cn2c(n1)[C@H](CNC(=O)NC1CC(c3ccccc3)C1)CCC2.
What is the InChIKey of 1-[[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-3-(3-phenylcyclobutyl)urea?
The InChIKey is LOMVLPDPYBUYDE-AOCRQIFASA-N. The full InChI is InChI=1S/C20H26N4O/c1-14-13-24-9-5-8-16(19(24)22-14)12-21-20(25)23-18-10-17(11-18)15-6-3-2-4-7-15/h2-4,6-7,13,16-18H,5,8-12H2,1H3,(H2,21,23,25)/t16-,17?,18?/m0/s1.
What are the key properties of 1-[[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-3-(3-phenylcyclobutyl)urea?
1-[[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-3-(3-phenylcyclobutyl)urea has a molecular weight of 338.45 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methyl]-3-(3-phenylcyclobutyl)urea is sourced from PubChem (CID 124886059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).