1-cyclopropyl-3-[4-(3,4-dihydropyrazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea

C19H19N7O — CID 70672008

About 1-cyclopropyl-3-[4-(3,4-dihydropyrazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea

1-cyclopropyl-3-[4-(3,4-dihydropyrazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea (PubChem CID 70672008) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-(3,4-dihydropyrazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea.

Molecular Properties

• Compound Name: 1-cyclopropyl-3-[4-(3,4-dihydropyrazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea
• PubChem CID: 70672008
• Molecular Formula: C19H19N7O
• Molecular Weight: 361.41 g/mol
• Exact Mass: 361.17
• IUPAC Name: 1-cyclopropyl-3-[4-(3,4-dihydropyrazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea
• SMILES: O=C(Nc1nc2c(N3CCC=N3)cc(-c3cccnc3)cc2[nH]1)NC1CC1
• InChI: InChI=1S/C19H19N7O/c27-19(22-14-4-5-14)25-18-23-15-9-13(12-3-1-6-20-11-12)10-16(17(15)24-18)26-8-2-7-21-26/h1,3,6-7,9-11,14H,2,4-5,8H2,(H3,22,23,24,25,27)
• InChIKey: GSRLNYXYZZIASB-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 98.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.41
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-(3,4-dihydropyrazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea?

The IUPAC name of 1-cyclopropyl-3-[4-(3,4-dihydropyrazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea (CID 70672008) is 1-cyclopropyl-3-[4-(3,4-dihydropyrazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea.

What is the SMILES notation for 1-cyclopropyl-3-[4-(3,4-dihydropyrazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea?

The canonical SMILES for 1-cyclopropyl-3-[4-(3,4-dihydropyrazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea is O=C(Nc1nc2c(N3CCC=N3)cc(-c3cccnc3)cc2[nH]1)NC1CC1.

What is the InChIKey of 1-cyclopropyl-3-[4-(3,4-dihydropyrazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea?

The InChIKey is GSRLNYXYZZIASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c27-19(22-14-4-5-14)25-18-23-15-9-13(12-3-1-6-20-11-12)10-16(17(15)24-18)26-8-2-7-21-26/h1,3,6-7,9-11,14H,2,4-5,8H2,(H3,22,23,24,25,27).

What are the key properties of 1-cyclopropyl-3-[4-(3,4-dihydropyrazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea?

1-cyclopropyl-3-[4-(3,4-dihydropyrazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea has a molecular weight of 361.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-3-[4-(3,4-dihydropyrazol-2-yl)-6-pyridin-3-yl-1H-benzimidazol-2-yl]urea is sourced from PubChem (CID 70672008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).