1-[3-[1-(benzylamino)ethyl]phenyl]-3-(1-methylindol-5-yl)urea

C25H26N4O — CID 54139254

IUPAC1-[3-[1-(benzylamino)ethyl]phenyl]-3-(1-methylindol-5-yl)urea
SMILESCC(NCc1ccccc1)c1cccc(NC(=O)Nc2ccc3c(ccn3C)c2)c1
InChIInChI=1S/C25H26N4O/c1-18(26-17-19-7-4-3-5-8-19)20-9-6-10-22(15-20)27-25(30)28-23-11-12-24-21(16-23)13-14-29(24)2/h3-16,18,26H,17H2,1-2H3,(H2,27,28,30)
InChIKeyNZXWECJMYCUIAW-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.67
Rot. Bonds6

About 1-[3-[1-(benzylamino)ethyl]phenyl]-3-(1-methylindol-5-yl)urea

1-[3-[1-(benzylamino)ethyl]phenyl]-3-(1-methylindol-5-yl)urea (PubChem CID 54139254) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-[3-[1-(benzylamino)ethyl]phenyl]-3-(1-methylindol-5-yl)urea.

Molecular Properties

Compound Name1-[3-[1-(benzylamino)ethyl]phenyl]-3-(1-methylindol-5-yl)urea
PubChem CID54139254
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name1-[3-[1-(benzylamino)ethyl]phenyl]-3-(1-methylindol-5-yl)urea
SMILESCC(NCc1ccccc1)c1cccc(NC(=O)Nc2ccc3c(ccn3C)c2)c1
InChIInChI=1S/C25H26N4O/c1-18(26-17-19-7-4-3-5-8-19)20-9-6-10-22(15-20)27-25(30)28-23-11-12-24-21(16-23)13-14-29(24)2/h3-16,18,26H,17H2,1-2H3,(H2,27,28,30)
InChIKeyNZXWECJMYCUIAW-UHFFFAOYSA-N
XLogP5.67
TPSA58.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[3-[1-(benzylamino)ethyl]phenyl]-3-(1-methylindol-5-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-methylindol-5-yl)-3-phenylurea;hydrochloride
CID 45259292
1-[4-(N'-benzylcarbamimidoyl)phenyl]-3-(1-methylindol-5-yl)urea
CID 54074413
1-(3-carbamimidoylphenyl)-3-(1-methylindol-5-yl)urea;hydroiodide
CID 67768152
3-amino-2-methyl-N-(1-methylindol-5-yl)propanamide
CID 110838398
1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-methylindol-5-yl)urea
CID 139889780
1-(1-methylindol-5-yl)-3-(2-methylquinolin-4-yl)urea;hydrochloride
CID 67733477
1-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(1-methylindol-5-yl)urea
CID 139889793
(2S)-2-amino-3-methyl-N-(1-methylindol-5-yl)butanamide
CID 110837856
1-methyl-N-(2-phenylethyl)indol-5-amine
CID 82539257
1-(1-methylindol-5-yl)-3-quinolin-4-ylurea;hydrochloride
CID 18475688
1-(3,4-dimethylphenyl)-3-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]urea
CID 124855662
N-phenyl-4-[(1-phenylethylamino)methyl]benzamide
CID 17476101

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(benzylamino)ethyl]phenyl]-3-(1-methylindol-5-yl)urea?
The IUPAC name of 1-[3-[1-(benzylamino)ethyl]phenyl]-3-(1-methylindol-5-yl)urea (CID 54139254) is 1-[3-[1-(benzylamino)ethyl]phenyl]-3-(1-methylindol-5-yl)urea.
What is the SMILES notation for 1-[3-[1-(benzylamino)ethyl]phenyl]-3-(1-methylindol-5-yl)urea?
The canonical SMILES for 1-[3-[1-(benzylamino)ethyl]phenyl]-3-(1-methylindol-5-yl)urea is CC(NCc1ccccc1)c1cccc(NC(=O)Nc2ccc3c(ccn3C)c2)c1.
What is the InChIKey of 1-[3-[1-(benzylamino)ethyl]phenyl]-3-(1-methylindol-5-yl)urea?
The InChIKey is NZXWECJMYCUIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-18(26-17-19-7-4-3-5-8-19)20-9-6-10-22(15-20)27-25(30)28-23-11-12-24-21(16-23)13-14-29(24)2/h3-16,18,26H,17H2,1-2H3,(H2,27,28,30).
What are the key properties of 1-[3-[1-(benzylamino)ethyl]phenyl]-3-(1-methylindol-5-yl)urea?
1-[3-[1-(benzylamino)ethyl]phenyl]-3-(1-methylindol-5-yl)urea has a molecular weight of 398.51 g/mol, XLogP of 5.67, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(benzylamino)ethyl]phenyl]-3-(1-methylindol-5-yl)urea is sourced from PubChem (CID 54139254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).