2-(1-propylazetidin-3-yl)-1H-benzimidazole

C13H17N3 — CID 141153066

IUPAC2-(1-propylazetidin-3-yl)-1H-benzimidazole
SMILESCCCN1CC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C13H17N3/c1-2-7-16-8-10(9-16)13-14-11-5-3-4-6-12(11)15-13/h3-6,10H,2,7-9H2,1H3,(H,14,15)
InChIKeyDGDHPGOEBKKDJW-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.37
Rot. Bonds3

About 2-(1-propylazetidin-3-yl)-1H-benzimidazole

2-(1-propylazetidin-3-yl)-1H-benzimidazole (PubChem CID 141153066) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(1-propylazetidin-3-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(1-propylazetidin-3-yl)-1H-benzimidazole
PubChem CID141153066
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-(1-propylazetidin-3-yl)-1H-benzimidazole
SMILESCCCN1CC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C13H17N3/c1-2-7-16-8-10(9-16)13-14-11-5-3-4-6-12(11)15-13/h3-6,10H,2,7-9H2,1H3,(H,14,15)
InChIKeyDGDHPGOEBKKDJW-UHFFFAOYSA-N
XLogP2.37
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-methylpropyl)azetidin-3-yl]-1H-benzimidazole
CID 66763355
2-(1-pent-4-ynylazetidin-3-yl)-1H-benzimidazole
CID 148699034
2-(1-butylpiperidin-4-yl)-1H-benzimidazole
CID 150629700
(4S)-4-(1H-benzimidazol-2-yl)-1-methylpyrrolidin-2-one
CID 40500171
2-[1-[(4-phenylphenyl)methyl]azetidin-3-yl]-1H-benzimidazole
CID 166392326
2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole
CID 4626342
2-[1-[(1-propyltetrazol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 56785941
(1S)-2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-phenylethanol
CID 124756300
2-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 70752239
2-[1-(benzenesulfonyl)azetidin-3-yl]-1H-benzimidazole
CID 90505852
2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 75615115
3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-ol
CID 111112410

Frequently Asked Questions

What is the IUPAC name of 2-(1-propylazetidin-3-yl)-1H-benzimidazole?
The IUPAC name of 2-(1-propylazetidin-3-yl)-1H-benzimidazole (CID 141153066) is 2-(1-propylazetidin-3-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(1-propylazetidin-3-yl)-1H-benzimidazole?
The canonical SMILES for 2-(1-propylazetidin-3-yl)-1H-benzimidazole is CCCN1CC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of 2-(1-propylazetidin-3-yl)-1H-benzimidazole?
The InChIKey is DGDHPGOEBKKDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-7-16-8-10(9-16)13-14-11-5-3-4-6-12(11)15-13/h3-6,10H,2,7-9H2,1H3,(H,14,15).
What are the key properties of 2-(1-propylazetidin-3-yl)-1H-benzimidazole?
2-(1-propylazetidin-3-yl)-1H-benzimidazole has a molecular weight of 215.30 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylazetidin-3-yl)-1H-benzimidazole is sourced from PubChem (CID 141153066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).