1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea

C24H31N5O2 — CID 78887670

IUPAC1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
SMILESCc1nc2ccccc2n1CCNC(=O)Nc1ccccc1CN1CC(C)OC(C)C1
InChIInChI=1S/C24H31N5O2/c1-17-14-28(15-18(2)31-17)16-20-8-4-5-9-21(20)27-24(30)25-12-13-29-19(3)26-22-10-6-7-11-23(22)29/h4-11,17-18H,12-16H2,1-3H3,(H2,25,27,30)
InChIKeyLHTAPRWKIRMHPM-UHFFFAOYSA-N
MW421.55 g/mol
LogP3.78
Rot. Bonds6

About 1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea

1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea (PubChem CID 78887670) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
PubChem CID78887670
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
SMILESCc1nc2ccccc2n1CCNC(=O)Nc1ccccc1CN1CC(C)OC(C)C1
InChIInChI=1S/C24H31N5O2/c1-17-14-28(15-18(2)31-17)16-20-8-4-5-9-21(20)27-24(30)25-12-13-29-19(3)26-22-10-6-7-11-23(22)29/h4-11,17-18H,12-16H2,1-3H3,(H2,25,27,30)
InChIKeyLHTAPRWKIRMHPM-UHFFFAOYSA-N
XLogP3.78
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea with MolForge

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Related Compounds

1-(4-acetylphenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 71898971
(2R,6S)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-phenylmorpholine-4-carboxamide
CID 95194564
1-(2,4-difluorophenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 46287063
1-(3-hydroxybutyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 111337075
1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-(imidazo[1,2-a]pyridin-2-ylmethyl)urea
CID 75415294
1-[(2-fluorophenyl)methyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 38946290
1-[2-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]-3-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]urea
CID 96529468
(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
3-(cyclopropylamino)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 61276333
4-bromo-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2,5-dimethylfuran-3-carboxamide
CID 78890905
2-(aminomethyl)-3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 65229175
(2S)-2-amino-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide
CID 61274419

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea?
The IUPAC name of 1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea (CID 78887670) is 1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea.
What is the SMILES notation for 1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea?
The canonical SMILES for 1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea is Cc1nc2ccccc2n1CCNC(=O)Nc1ccccc1CN1CC(C)OC(C)C1.
What is the InChIKey of 1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea?
The InChIKey is LHTAPRWKIRMHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-17-14-28(15-18(2)31-17)16-20-8-4-5-9-21(20)27-24(30)25-12-13-29-19(3)26-22-10-6-7-11-23(22)29/h4-11,17-18H,12-16H2,1-3H3,(H2,25,27,30).
What are the key properties of 1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea?
1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea has a molecular weight of 421.55 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea is sourced from PubChem (CID 78887670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).