1-[4-[5-[(2-methoxyphenyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-methylurea

C23H27N5O2 — CID 70916338

IUPAC1-[4-[5-[(2-methoxyphenyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(-c2nc3c(n2C)CN(Cc2ccccc2OC)CC3)cc1
InChIInChI=1S/C23H27N5O2/c1-24-23(29)25-18-10-8-16(9-11-18)22-26-19-12-13-28(15-20(19)27(22)2)14-17-6-4-5-7-21(17)30-3/h4-11H,12-15H2,1-3H3,(H2,24,25,29)
InChIKeyVHWFMZSVRJSQOG-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.41
Rot. Bonds5

About 1-[4-[5-[(2-methoxyphenyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-methylurea

1-[4-[5-[(2-methoxyphenyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-methylurea (PubChem CID 70916338) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-[4-[5-[(2-methoxyphenyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[4-[5-[(2-methoxyphenyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-methylurea
PubChem CID70916338
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name1-[4-[5-[(2-methoxyphenyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(-c2nc3c(n2C)CN(Cc2ccccc2OC)CC3)cc1
InChIInChI=1S/C23H27N5O2/c1-24-23(29)25-18-10-8-16(9-11-18)22-26-19-12-13-28(15-20(19)27(22)2)14-17-6-4-5-7-21(17)30-3/h4-11H,12-15H2,1-3H3,(H2,24,25,29)
InChIKeyVHWFMZSVRJSQOG-UHFFFAOYSA-N
XLogP3.41
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-5-[(2-methoxyphenyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 70916327
3-[5-[(2-methoxyphenyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-N-methylaniline
CID 143944109
5-[(2,5-dimethoxyphenyl)methyl]-3-methyl-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 70916324
2-[[2-(4-hydroxyphenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenol
CID 136631599
6-[(2-methoxyphenyl)methyl]-N-phenyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepine-2-carboxamide
CID 134807194
ethane;[2-[[3-methyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]azanium
CID 143944168
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-one
CID 23053179
2-[[6-[(2-methoxyphenyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 135631250
3-[5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]-N-methoxybenzamide
CID 89098081
2-[(3-methyl-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazole
CID 70916412
5-[(5-chloro-2-nitrosophenyl)methyl]-2-(4-fluorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 143944200
3-cyclopropyl-5-[(2,5-dimethoxyphenyl)methyl]-2-phenyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 143944102

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[(2-methoxyphenyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-methylurea?
The IUPAC name of 1-[4-[5-[(2-methoxyphenyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-methylurea (CID 70916338) is 1-[4-[5-[(2-methoxyphenyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-methylurea.
What is the SMILES notation for 1-[4-[5-[(2-methoxyphenyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-methylurea?
The canonical SMILES for 1-[4-[5-[(2-methoxyphenyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-methylurea is CNC(=O)Nc1ccc(-c2nc3c(n2C)CN(Cc2ccccc2OC)CC3)cc1.
What is the InChIKey of 1-[4-[5-[(2-methoxyphenyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-methylurea?
The InChIKey is VHWFMZSVRJSQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-24-23(29)25-18-10-8-16(9-11-18)22-26-19-12-13-28(15-20(19)27(22)2)14-17-6-4-5-7-21(17)30-3/h4-11H,12-15H2,1-3H3,(H2,24,25,29).
What are the key properties of 1-[4-[5-[(2-methoxyphenyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-methylurea?
1-[4-[5-[(2-methoxyphenyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-methylurea has a molecular weight of 405.50 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[(2-methoxyphenyl)methyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]phenyl]-3-methylurea is sourced from PubChem (CID 70916338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).