2-[1-(6-propylpyrimidin-4-yl)benzimidazol-2-yl]acetonitrile

C16H15N5 — CID 63637394

IUPAC2-[1-(6-propylpyrimidin-4-yl)benzimidazol-2-yl]acetonitrile
SMILESCCCc1cc(-n2c(CC#N)nc3ccccc32)ncn1
InChIInChI=1S/C16H15N5/c1-2-5-12-10-16(19-11-18-12)21-14-7-4-3-6-13(14)20-15(21)8-9-17/h3-4,6-7,10-11H,2,5,8H2,1H3
InChIKeyJQDWMJNFXAPKDV-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.83
Rot. Bonds4

About 2-[1-(6-propylpyrimidin-4-yl)benzimidazol-2-yl]acetonitrile

2-[1-(6-propylpyrimidin-4-yl)benzimidazol-2-yl]acetonitrile (PubChem CID 63637394) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-[1-(6-propylpyrimidin-4-yl)benzimidazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(6-propylpyrimidin-4-yl)benzimidazol-2-yl]acetonitrile
PubChem CID63637394
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name2-[1-(6-propylpyrimidin-4-yl)benzimidazol-2-yl]acetonitrile
SMILESCCCc1cc(-n2c(CC#N)nc3ccccc32)ncn1
InChIInChI=1S/C16H15N5/c1-2-5-12-10-16(19-11-18-12)21-14-7-4-3-6-13(14)20-15(21)8-9-17/h3-4,6-7,10-11H,2,5,8H2,1H3
InChIKeyJQDWMJNFXAPKDV-UHFFFAOYSA-N
XLogP2.83
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3-methylpyrazin-2-yl)benzimidazol-2-yl]acetonitrile
CID 83062998
2-[1-[5-(aminomethyl)-3-methyl-2-pyridinyl]benzimidazol-2-yl]acetonitrile
CID 80639228
2-[2-(cyanomethyl)benzimidazol-1-yl]-3-methylbenzonitrile
CID 107107391
3-amino-6-[2-(cyanomethyl)benzimidazol-1-yl]pyridine-2-carbonitrile
CID 103469387
2-[1-[4-(aminomethyl)-3-methylphenyl]benzimidazol-2-yl]acetonitrile
CID 63640861
2-[1-(4-aminophenyl)benzimidazol-2-yl]acetonitrile
CID 63641531
2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)benzimidazol-2-yl]acetonitrile
CID 65208570
2-[1-(5-bromo-4-methoxypyrimidin-2-yl)benzimidazol-2-yl]acetonitrile
CID 106999135
2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]acetonitrile
CID 55246838
2-[1-[4-(aminomethyl)-2-fluorophenyl]benzimidazol-2-yl]acetonitrile
CID 63640512
2-(1-propan-2-ylbenzimidazol-2-yl)acetonitrile
CID 55247145
3-(2-propylbenzimidazol-1-yl)propanenitrile
CID 15259068

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-propylpyrimidin-4-yl)benzimidazol-2-yl]acetonitrile?
The IUPAC name of 2-[1-(6-propylpyrimidin-4-yl)benzimidazol-2-yl]acetonitrile (CID 63637394) is 2-[1-(6-propylpyrimidin-4-yl)benzimidazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[1-(6-propylpyrimidin-4-yl)benzimidazol-2-yl]acetonitrile?
The canonical SMILES for 2-[1-(6-propylpyrimidin-4-yl)benzimidazol-2-yl]acetonitrile is CCCc1cc(-n2c(CC#N)nc3ccccc32)ncn1.
What is the InChIKey of 2-[1-(6-propylpyrimidin-4-yl)benzimidazol-2-yl]acetonitrile?
The InChIKey is JQDWMJNFXAPKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c1-2-5-12-10-16(19-11-18-12)21-14-7-4-3-6-13(14)20-15(21)8-9-17/h3-4,6-7,10-11H,2,5,8H2,1H3.
What are the key properties of 2-[1-(6-propylpyrimidin-4-yl)benzimidazol-2-yl]acetonitrile?
2-[1-(6-propylpyrimidin-4-yl)benzimidazol-2-yl]acetonitrile has a molecular weight of 277.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-propylpyrimidin-4-yl)benzimidazol-2-yl]acetonitrile is sourced from PubChem (CID 63637394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).