1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea

C20H23N5O — CID 96516387

IUPAC1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea
SMILESCc1ccc(CCNC(=O)N[C@H](c2ccccc2)c2nccn2C)cn1
InChIInChI=1S/C20H23N5O/c1-15-8-9-16(14-23-15)10-11-22-20(26)24-18(17-6-4-3-5-7-17)19-21-12-13-25(19)2/h3-9,12-14,18H,10-11H2,1-2H3,(H2,22,24,26)/t18-/m1/s1
InChIKeyWGAUZZCTZAMUQM-GOSISDBHSA-N
MW349.44 g/mol
LogP2.75
Rot. Bonds6

About 1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea

1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea (PubChem CID 96516387) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea.

Molecular Properties

Compound Name1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea
PubChem CID96516387
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea
SMILESCc1ccc(CCNC(=O)N[C@H](c2ccccc2)c2nccn2C)cn1
InChIInChI=1S/C20H23N5O/c1-15-8-9-16(14-23-15)10-11-22-20(26)24-18(17-6-4-3-5-7-17)19-21-12-13-25(19)2/h3-9,12-14,18H,10-11H2,1-2H3,(H2,22,24,26)/t18-/m1/s1
InChIKeyWGAUZZCTZAMUQM-GOSISDBHSA-N
XLogP2.75
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
SB-220025
CID 5164
PF-670462
CID 51049607
2-(Hydroxyamino)-1-methyl-6-phenylimidazo(4,5-b)pyridine
CID 104954
L-790070
CID 9806182
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720
4-{Imidazo[1,2-a]pyrimidin-2-yl}aniline
CID 821089
3-(Imidazo(1,2-a)pyrimidin-2-yl)aniline
CID 1477845
4-(1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 5172
4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine
CID 447721
1-benzyl-5-phenyl-1H-imidazole
CID 10444038
2-Amino-1-(2-(4-fluorophenyl)-3-((4-fluorophenyl)amino)-5,6-dihydro-8,8-dimethylimidazo(1,2-a)pyrazin-7(8H)-yl)ethanone
CID 49856296

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea?
The IUPAC name of 1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea (CID 96516387) is 1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea.
What is the SMILES notation for 1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea?
The canonical SMILES for 1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea is Cc1ccc(CCNC(=O)N[C@H](c2ccccc2)c2nccn2C)cn1.
What is the InChIKey of 1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea?
The InChIKey is WGAUZZCTZAMUQM-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15-8-9-16(14-23-15)10-11-22-20(26)24-18(17-6-4-3-5-7-17)19-21-12-13-25(19)2/h3-9,12-14,18H,10-11H2,1-2H3,(H2,22,24,26)/t18-/m1/s1.
What are the key properties of 1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea?
1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea has a molecular weight of 349.44 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea is sourced from PubChem (CID 96516387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).