1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)-1-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]urea

C19H23N5O — CID 125166507

About 1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)-1-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]urea

1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)-1-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]urea (PubChem CID 125166507) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)-1-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]urea.

Molecular Properties

• Compound Name: 1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)-1-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]urea
• PubChem CID: 125166507
• Molecular Formula: C19H23N5O
• Molecular Weight: 337.43 g/mol
• Exact Mass: 337.19
• IUPAC Name: 1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)-1-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]urea
• SMILES: Cc1nc2ccc(NC(=O)N(C)[C@H](C)Cc3ncccc3C)cc2[nH]1
• InChI: InChI=1S/C19H23N5O/c1-12-6-5-9-20-17(12)10-13(2)24(4)19(25)23-15-7-8-16-18(11-15)22-14(3)21-16/h5-9,11,13H,10H2,1-4H3,(H,21,22)(H,23,25)/t13-/m1/s1
• InChIKey: HPKGAGSDJCEHBW-CYBMUJFWSA-N
• XLogP: 3.67
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.43
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)-1-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]urea?

The IUPAC name of 1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)-1-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]urea (CID 125166507) is 1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)-1-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]urea.

What is the SMILES notation for 1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)-1-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]urea?

The canonical SMILES for 1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)-1-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]urea is Cc1nc2ccc(NC(=O)N(C)[C@H](C)Cc3ncccc3C)cc2[nH]1.

What is the InChIKey of 1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)-1-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]urea?

The InChIKey is HPKGAGSDJCEHBW-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23N5O/c1-12-6-5-9-20-17(12)10-13(2)24(4)19(25)23-15-7-8-16-18(11-15)22-14(3)21-16/h5-9,11,13H,10H2,1-4H3,(H,21,22)(H,23,25)/t13-/m1/s1.

What are the key properties of 1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)-1-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]urea?

1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)-1-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]urea has a molecular weight of 337.43 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)-1-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]urea is sourced from PubChem (CID 125166507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).