1-cyclopropyl-2-pyrimidin-5-yl-4,5,6,7-tetrahydrobenzimidazole

C14H16N4 — CID 135185855

IUPAC1-cyclopropyl-2-pyrimidin-5-yl-4,5,6,7-tetrahydrobenzimidazole
SMILESc1ncc(-c2nc3c(n2C2CC2)CCCC3)cn1
InChIInChI=1S/C14H16N4/c1-2-4-13-12(3-1)17-14(18(13)11-5-6-11)10-7-15-9-16-8-10/h7-9,11H,1-6H2
InChIKeyNUGXJVNIKOJVJZ-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.55
Rot. Bonds2

About 1-cyclopropyl-2-pyrimidin-5-yl-4,5,6,7-tetrahydrobenzimidazole

1-cyclopropyl-2-pyrimidin-5-yl-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 135185855) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-cyclopropyl-2-pyrimidin-5-yl-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name1-cyclopropyl-2-pyrimidin-5-yl-4,5,6,7-tetrahydrobenzimidazole
PubChem CID135185855
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name1-cyclopropyl-2-pyrimidin-5-yl-4,5,6,7-tetrahydrobenzimidazole
SMILESc1ncc(-c2nc3c(n2C2CC2)CCCC3)cn1
InChIInChI=1S/C14H16N4/c1-2-4-13-12(3-1)17-14(18(13)11-5-6-11)10-7-15-9-16-8-10/h7-9,11H,1-6H2
InChIKeyNUGXJVNIKOJVJZ-UHFFFAOYSA-N
XLogP2.55
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-pyrimidin-5-yl-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 1-cyclopropyl-2-pyrimidin-5-yl-4,5,6,7-tetrahydrobenzimidazole (CID 135185855) is 1-cyclopropyl-2-pyrimidin-5-yl-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 1-cyclopropyl-2-pyrimidin-5-yl-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 1-cyclopropyl-2-pyrimidin-5-yl-4,5,6,7-tetrahydrobenzimidazole is c1ncc(-c2nc3c(n2C2CC2)CCCC3)cn1.
What is the InChIKey of 1-cyclopropyl-2-pyrimidin-5-yl-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is NUGXJVNIKOJVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-2-4-13-12(3-1)17-14(18(13)11-5-6-11)10-7-15-9-16-8-10/h7-9,11H,1-6H2.
What are the key properties of 1-cyclopropyl-2-pyrimidin-5-yl-4,5,6,7-tetrahydrobenzimidazole?
1-cyclopropyl-2-pyrimidin-5-yl-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 240.31 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-pyrimidin-5-yl-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 135185855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).