1,3,5-trimethyl-6-[3-[(2S)-2-piperidin-1-ylpropyl]imidazol-4-yl]benzimidazol-2-one

C21H29N5O — CID 92628933

IUPAC1,3,5-trimethyl-6-[3-[(2S)-2-piperidin-1-ylpropyl]imidazol-4-yl]benzimidazol-2-one
SMILESCc1cc2c(cc1-c1cncn1C[C@H](C)N1CCCCC1)n(C)c(=O)n2C
InChIInChI=1S/C21H29N5O/c1-15-10-18-19(24(4)21(27)23(18)3)11-17(15)20-12-22-14-26(20)13-16(2)25-8-6-5-7-9-25/h10-12,14,16H,5-9,13H2,1-4H3/t16-/m0/s1
InChIKeyFTWAJLICTVFVNS-INIZCTEOSA-N
MW367.50 g/mol
LogP2.92
Rot. Bonds4

About 1,3,5-trimethyl-6-[3-[(2S)-2-piperidin-1-ylpropyl]imidazol-4-yl]benzimidazol-2-one

1,3,5-trimethyl-6-[3-[(2S)-2-piperidin-1-ylpropyl]imidazol-4-yl]benzimidazol-2-one (PubChem CID 92628933) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 1,3,5-trimethyl-6-[3-[(2S)-2-piperidin-1-ylpropyl]imidazol-4-yl]benzimidazol-2-one.

Molecular Properties

Compound Name1,3,5-trimethyl-6-[3-[(2S)-2-piperidin-1-ylpropyl]imidazol-4-yl]benzimidazol-2-one
PubChem CID92628933
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name1,3,5-trimethyl-6-[3-[(2S)-2-piperidin-1-ylpropyl]imidazol-4-yl]benzimidazol-2-one
SMILESCc1cc2c(cc1-c1cncn1C[C@H](C)N1CCCCC1)n(C)c(=O)n2C
InChIInChI=1S/C21H29N5O/c1-15-10-18-19(24(4)21(27)23(18)3)11-17(15)20-12-22-14-26(20)13-16(2)25-8-6-5-7-9-25/h10-12,14,16H,5-9,13H2,1-4H3/t16-/m0/s1
InChIKeyFTWAJLICTVFVNS-INIZCTEOSA-N
XLogP2.92
TPSA47.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-6-[3-[(2S)-2-piperidin-1-ylpropyl]imidazol-4-yl]benzimidazol-2-one?
The IUPAC name of 1,3,5-trimethyl-6-[3-[(2S)-2-piperidin-1-ylpropyl]imidazol-4-yl]benzimidazol-2-one (CID 92628933) is 1,3,5-trimethyl-6-[3-[(2S)-2-piperidin-1-ylpropyl]imidazol-4-yl]benzimidazol-2-one.
What is the SMILES notation for 1,3,5-trimethyl-6-[3-[(2S)-2-piperidin-1-ylpropyl]imidazol-4-yl]benzimidazol-2-one?
The canonical SMILES for 1,3,5-trimethyl-6-[3-[(2S)-2-piperidin-1-ylpropyl]imidazol-4-yl]benzimidazol-2-one is Cc1cc2c(cc1-c1cncn1C[C@H](C)N1CCCCC1)n(C)c(=O)n2C.
What is the InChIKey of 1,3,5-trimethyl-6-[3-[(2S)-2-piperidin-1-ylpropyl]imidazol-4-yl]benzimidazol-2-one?
The InChIKey is FTWAJLICTVFVNS-INIZCTEOSA-N. The full InChI is InChI=1S/C21H29N5O/c1-15-10-18-19(24(4)21(27)23(18)3)11-17(15)20-12-22-14-26(20)13-16(2)25-8-6-5-7-9-25/h10-12,14,16H,5-9,13H2,1-4H3/t16-/m0/s1.
What are the key properties of 1,3,5-trimethyl-6-[3-[(2S)-2-piperidin-1-ylpropyl]imidazol-4-yl]benzimidazol-2-one?
1,3,5-trimethyl-6-[3-[(2S)-2-piperidin-1-ylpropyl]imidazol-4-yl]benzimidazol-2-one has a molecular weight of 367.50 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-6-[3-[(2S)-2-piperidin-1-ylpropyl]imidazol-4-yl]benzimidazol-2-one is sourced from PubChem (CID 92628933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).