2-[1-(2-methylpropyl)azetidin-3-yl]-1H-benzimidazole

C14H19N3 — CID 66763355

IUPAC2-[1-(2-methylpropyl)azetidin-3-yl]-1H-benzimidazole
SMILESCC(C)CN1CC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C14H19N3/c1-10(2)7-17-8-11(9-17)14-15-12-5-3-4-6-13(12)16-14/h3-6,10-11H,7-9H2,1-2H3,(H,15,16)
InChIKeyACZOUYWMXIKASQ-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.62
Rot. Bonds3

About 2-[1-(2-methylpropyl)azetidin-3-yl]-1H-benzimidazole

2-[1-(2-methylpropyl)azetidin-3-yl]-1H-benzimidazole (PubChem CID 66763355) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-[1-(2-methylpropyl)azetidin-3-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-(2-methylpropyl)azetidin-3-yl]-1H-benzimidazole
PubChem CID66763355
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-[1-(2-methylpropyl)azetidin-3-yl]-1H-benzimidazole
SMILESCC(C)CN1CC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C14H19N3/c1-10(2)7-17-8-11(9-17)14-15-12-5-3-4-6-13(12)16-14/h3-6,10-11H,7-9H2,1-2H3,(H,15,16)
InChIKeyACZOUYWMXIKASQ-UHFFFAOYSA-N
XLogP2.62
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-phenylethanol
CID 124756300
2-(1-propylazetidin-3-yl)-1H-benzimidazole
CID 141153066
2-[1-(2-phenylpropyl)piperidin-4-yl]-1H-benzimidazole
CID 10087324
2-[1-[(4-phenylphenyl)methyl]azetidin-3-yl]-1H-benzimidazole
CID 166392326
2-(1-pent-4-ynylazetidin-3-yl)-1H-benzimidazole
CID 148699034
2-[1-(benzenesulfonyl)azetidin-3-yl]-1H-benzimidazole
CID 90505852
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-amine
CID 82167745
(4S)-4-(1H-benzimidazol-2-yl)-1-methylpyrrolidin-2-one
CID 40500171
(4S)-4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 37023966
3-[4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]phenyl]prop-2-yn-1-ol
CID 77083335
2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 75615115
2-(1-butylpiperidin-4-yl)-1H-benzimidazole
CID 150629700

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpropyl)azetidin-3-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-(2-methylpropyl)azetidin-3-yl]-1H-benzimidazole (CID 66763355) is 2-[1-(2-methylpropyl)azetidin-3-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-(2-methylpropyl)azetidin-3-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-(2-methylpropyl)azetidin-3-yl]-1H-benzimidazole is CC(C)CN1CC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of 2-[1-(2-methylpropyl)azetidin-3-yl]-1H-benzimidazole?
The InChIKey is ACZOUYWMXIKASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10(2)7-17-8-11(9-17)14-15-12-5-3-4-6-13(12)16-14/h3-6,10-11H,7-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-(2-methylpropyl)azetidin-3-yl]-1H-benzimidazole?
2-[1-(2-methylpropyl)azetidin-3-yl]-1H-benzimidazole has a molecular weight of 229.33 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpropyl)azetidin-3-yl]-1H-benzimidazole is sourced from PubChem (CID 66763355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).