1-benzyl-1-(furan-2-ylmethyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea

C24H25N3O2 — CID 86882986

IUPAC1-benzyl-1-(furan-2-ylmethyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
SMILESCc1[nH]c2ccccc2c1CCNC(=O)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C24H25N3O2/c1-18-21(22-11-5-6-12-23(22)26-18)13-14-25-24(28)27(17-20-10-7-15-29-20)16-19-8-3-2-4-9-19/h2-12,15,26H,13-14,16-17H2,1H3,(H,25,28)
InChIKeyLHLQWARANVCBIK-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.02
Rot. Bonds7

About 1-benzyl-1-(furan-2-ylmethyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea

1-benzyl-1-(furan-2-ylmethyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea (PubChem CID 86882986) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-benzyl-1-(furan-2-ylmethyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-benzyl-1-(furan-2-ylmethyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
PubChem CID86882986
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name1-benzyl-1-(furan-2-ylmethyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
SMILESCc1[nH]c2ccccc2c1CCNC(=O)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C24H25N3O2/c1-18-21(22-11-5-6-12-23(22)26-18)13-14-25-24(28)27(17-20-10-7-15-29-20)16-19-8-3-2-4-9-19/h2-12,15,26H,13-14,16-17H2,1H3,(H,25,28)
InChIKeyLHLQWARANVCBIK-UHFFFAOYSA-N
XLogP5.02
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-[[[2-(furan-2-yl)ethylamino]-[2-(2-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111907417
1-benzyl-1-(furan-2-ylmethyl)-3-[2-(1H-indol-5-yl)ethyl]urea
CID 154841114
N-(furan-2-ylmethyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31848406
1-(furan-2-ylmethyl)-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)thiourea
CID 4135694
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052
2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide
CID 71492148
3-(3-chlorophenyl)-1-(furan-2-ylmethyl)-1-[2-(2-methyl-1H-indol-3-yl)ethyl]thiourea
CID 4156509
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
CID 109398586
4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776348
N-benzyl-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 17014016

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-(furan-2-ylmethyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-benzyl-1-(furan-2-ylmethyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea (CID 86882986) is 1-benzyl-1-(furan-2-ylmethyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-benzyl-1-(furan-2-ylmethyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-benzyl-1-(furan-2-ylmethyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea is Cc1[nH]c2ccccc2c1CCNC(=O)N(Cc1ccccc1)Cc1ccco1.
What is the InChIKey of 1-benzyl-1-(furan-2-ylmethyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea?
The InChIKey is LHLQWARANVCBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-18-21(22-11-5-6-12-23(22)26-18)13-14-25-24(28)27(17-20-10-7-15-29-20)16-19-8-3-2-4-9-19/h2-12,15,26H,13-14,16-17H2,1H3,(H,25,28).
What are the key properties of 1-benzyl-1-(furan-2-ylmethyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea?
1-benzyl-1-(furan-2-ylmethyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea has a molecular weight of 387.48 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-(furan-2-ylmethyl)-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 86882986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).