1-(2-methyl-1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)propyl]urea

C18H27N5O — CID 136571788

IUPAC1-(2-methyl-1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)propyl]urea
SMILESCc1cc2cc(NC(=O)NCC(C)N3CCN(C)CC3)ccc2[nH]1
InChIInChI=1S/C18H27N5O/c1-13-10-15-11-16(4-5-17(15)20-13)21-18(24)19-12-14(2)23-8-6-22(3)7-9-23/h4-5,10-11,14,20H,6-9,12H2,1-3H3,(H2,19,21,24)
InChIKeyBUNWBGUXZJTUFG-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.23
Rot. Bonds4

About 1-(2-methyl-1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)propyl]urea

1-(2-methyl-1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)propyl]urea (PubChem CID 136571788) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 1-(2-methyl-1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(2-methyl-1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)propyl]urea
PubChem CID136571788
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name1-(2-methyl-1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)propyl]urea
SMILESCc1cc2cc(NC(=O)NCC(C)N3CCN(C)CC3)ccc2[nH]1
InChIInChI=1S/C18H27N5O/c1-13-10-15-11-16(4-5-17(15)20-13)21-18(24)19-12-14(2)23-8-6-22(3)7-9-23/h4-5,10-11,14,20H,6-9,12H2,1-3H3,(H2,19,21,24)
InChIKeyBUNWBGUXZJTUFG-UHFFFAOYSA-N
XLogP2.23
TPSA63.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)propyl]urea?
The IUPAC name of 1-(2-methyl-1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)propyl]urea (CID 136571788) is 1-(2-methyl-1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)propyl]urea.
What is the SMILES notation for 1-(2-methyl-1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)propyl]urea?
The canonical SMILES for 1-(2-methyl-1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)propyl]urea is Cc1cc2cc(NC(=O)NCC(C)N3CCN(C)CC3)ccc2[nH]1.
What is the InChIKey of 1-(2-methyl-1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)propyl]urea?
The InChIKey is BUNWBGUXZJTUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-13-10-15-11-16(4-5-17(15)20-13)21-18(24)19-12-14(2)23-8-6-22(3)7-9-23/h4-5,10-11,14,20H,6-9,12H2,1-3H3,(H2,19,21,24).
What are the key properties of 1-(2-methyl-1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)propyl]urea?
1-(2-methyl-1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)propyl]urea has a molecular weight of 329.45 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1H-indol-5-yl)-3-[2-(4-methylpiperazin-1-yl)propyl]urea is sourced from PubChem (CID 136571788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).