2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-ol

C15H16N4O — CID 116903079

IUPAC2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-ol
SMILESCCC(CO)c1nccc(-c2ccc3nc[nH]c3c2)n1
InChIInChI=1S/C15H16N4O/c1-2-10(8-20)15-16-6-5-12(19-15)11-3-4-13-14(7-11)18-9-17-13/h3-7,9-10,20H,2,8H2,1H3,(H,17,18)
InChIKeyQLBYGSTWTGZHKI-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.51
Rot. Bonds4

About 2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-ol

2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-ol (PubChem CID 116903079) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-ol.

Molecular Properties

Compound Name2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-ol
PubChem CID116903079
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-ol
SMILESCCC(CO)c1nccc(-c2ccc3nc[nH]c3c2)n1
InChIInChI=1S/C15H16N4O/c1-2-10(8-20)15-16-6-5-12(19-15)11-3-4-13-14(7-11)18-9-17-13/h3-7,9-10,20H,2,8H2,1H3,(H,17,18)
InChIKeyQLBYGSTWTGZHKI-UHFFFAOYSA-N
XLogP2.51
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3,4-difluorophenyl)pyrimidin-2-yl]butan-1-ol
CID 116903072
3-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-amine
CID 116898218
6-(2-chloropyrimidin-4-yl)-1H-benzimidazole
CID 116904383
6-[2-(2-chloroethyl)pyrimidin-4-yl]-1H-benzimidazole
CID 116899357
2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]-N-methylethanamine
CID 116897787
6-pentan-3-yl-1H-benzimidazole
CID 134401277
2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]butan-1-amine
CID 116903120
4-(3H-benzimidazol-5-yl)-N-(furan-2-ylmethyl)pyrimidin-2-amine
CID 170970828
N-[3-[[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]amino]phenyl]-2-methylpropanamide
CID 170970468
2-[[3H-benzimidazol-5-yl(methyl)amino]methyl]butan-1-ol
CID 115250690
6-(1-ethyltriazol-4-yl)-1H-benzimidazole
CID 118693287
3-[4-(3H-benzimidazol-5-yl)-1,3-thiazol-2-yl]propan-1-ol
CID 116965587

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-ol?
The IUPAC name of 2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-ol (CID 116903079) is 2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-ol.
What is the SMILES notation for 2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-ol?
The canonical SMILES for 2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-ol is CCC(CO)c1nccc(-c2ccc3nc[nH]c3c2)n1.
What is the InChIKey of 2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-ol?
The InChIKey is QLBYGSTWTGZHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-10(8-20)15-16-6-5-12(19-15)11-3-4-13-14(7-11)18-9-17-13/h3-7,9-10,20H,2,8H2,1H3,(H,17,18).
What are the key properties of 2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-ol?
2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-ol has a molecular weight of 268.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3H-benzimidazol-5-yl)pyrimidin-2-yl]butan-1-ol is sourced from PubChem (CID 116903079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).