2-propyl-1-(pyrimidin-2-ylmethyl)benzimidazole

C15H16N4 — CID 116626997

IUPAC2-propyl-1-(pyrimidin-2-ylmethyl)benzimidazole
SMILESCCCc1nc2ccccc2n1Cc1ncccn1
InChIInChI=1S/C15H16N4/c1-2-6-15-18-12-7-3-4-8-13(12)19(15)11-14-16-9-5-10-17-14/h3-5,7-10H,2,6,11H2,1H3
InChIKeyBXRGFLDFVHDHNS-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.83
Rot. Bonds4

About 2-propyl-1-(pyrimidin-2-ylmethyl)benzimidazole

2-propyl-1-(pyrimidin-2-ylmethyl)benzimidazole (PubChem CID 116626997) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-propyl-1-(pyrimidin-2-ylmethyl)benzimidazole.

Molecular Properties

Compound Name2-propyl-1-(pyrimidin-2-ylmethyl)benzimidazole
PubChem CID116626997
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-propyl-1-(pyrimidin-2-ylmethyl)benzimidazole
SMILESCCCc1nc2ccccc2n1Cc1ncccn1
InChIInChI=1S/C15H16N4/c1-2-6-15-18-12-7-3-4-8-13(12)19(15)11-14-16-9-5-10-17-14/h3-5,7-10H,2,6,11H2,1H3
InChIKeyBXRGFLDFVHDHNS-UHFFFAOYSA-N
XLogP2.83
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(pyrimidin-2-ylmethyl)benzimidazol-2-yl]ethanamine
CID 55244547
1-[(1-ethylimidazol-2-yl)methyl]-2-propylbenzimidazole
CID 116626980
1-benzyl-2-propylbenzimidazole
CID 764560
1-[(2-methoxy-3-pyridinyl)methyl]-2-propylbenzimidazole
CID 116627019
5-propyl-3-[(2-propylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 115591565
1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
CID 884778
5-propan-2-yl-3-[(2-propylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 115590553
1-[(4-iodophenyl)methyl]-2-propylbenzimidazole
CID 115970804
N-methyl-2-[(2-propylbenzimidazol-1-yl)methyl]pyridin-4-amine
CID 115971040
1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-propylbenzimidazole
CID 116627005
1-[(3,4-difluorophenyl)methyl]-2-propylbenzimidazole
CID 115571780
[4-[(2-propylbenzimidazol-1-yl)methyl]-2-pyridinyl]hydrazine
CID 115971072

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1-(pyrimidin-2-ylmethyl)benzimidazole?
The IUPAC name of 2-propyl-1-(pyrimidin-2-ylmethyl)benzimidazole (CID 116626997) is 2-propyl-1-(pyrimidin-2-ylmethyl)benzimidazole.
What is the SMILES notation for 2-propyl-1-(pyrimidin-2-ylmethyl)benzimidazole?
The canonical SMILES for 2-propyl-1-(pyrimidin-2-ylmethyl)benzimidazole is CCCc1nc2ccccc2n1Cc1ncccn1.
What is the InChIKey of 2-propyl-1-(pyrimidin-2-ylmethyl)benzimidazole?
The InChIKey is BXRGFLDFVHDHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-2-6-15-18-12-7-3-4-8-13(12)19(15)11-14-16-9-5-10-17-14/h3-5,7-10H,2,6,11H2,1H3.
What are the key properties of 2-propyl-1-(pyrimidin-2-ylmethyl)benzimidazole?
2-propyl-1-(pyrimidin-2-ylmethyl)benzimidazole has a molecular weight of 252.32 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1-(pyrimidin-2-ylmethyl)benzimidazole is sourced from PubChem (CID 116626997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).