1-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)urea

C19H25N5O2S — CID 74249509

IUPAC1-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)urea
SMILESCCCc1nc(C)c(CNC(=O)Nc2cc3c(cc2C)n(C)c(=O)n3C)s1
InChIInChI=1S/C19H25N5O2S/c1-6-7-17-21-12(3)16(27-17)10-20-18(25)22-13-9-15-14(8-11(13)2)23(4)19(26)24(15)5/h8-9H,6-7,10H2,1-5H3,(H2,20,22,25)
InChIKeyMBZCKGACLSMJBU-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.22
Rot. Bonds5

About 1-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)urea

1-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)urea (PubChem CID 74249509) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is 1-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)urea.

Molecular Properties

Compound Name1-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)urea
PubChem CID74249509
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC Name1-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)urea
SMILESCCCc1nc(C)c(CNC(=O)Nc2cc3c(cc2C)n(C)c(=O)n3C)s1
InChIInChI=1S/C19H25N5O2S/c1-6-7-17-21-12(3)16(27-17)10-20-18(25)22-13-9-15-14(8-11(13)2)23(4)19(26)24(15)5/h8-9H,6-7,10H2,1-5H3,(H2,20,22,25)
InChIKeyMBZCKGACLSMJBU-UHFFFAOYSA-N
XLogP3.22
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)urea?
The IUPAC name of 1-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)urea (CID 74249509) is 1-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)urea.
What is the SMILES notation for 1-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)urea?
The canonical SMILES for 1-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)urea is CCCc1nc(C)c(CNC(=O)Nc2cc3c(cc2C)n(C)c(=O)n3C)s1.
What is the InChIKey of 1-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)urea?
The InChIKey is MBZCKGACLSMJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-6-7-17-21-12(3)16(27-17)10-20-18(25)22-13-9-15-14(8-11(13)2)23(4)19(26)24(15)5/h8-9H,6-7,10H2,1-5H3,(H2,20,22,25).
What are the key properties of 1-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)urea?
1-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)urea has a molecular weight of 387.51 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)urea is sourced from PubChem (CID 74249509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).