1-[(2-tert-butyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine

C15H21N3 — CID 117360875

IUPAC1-[(2-tert-butyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine
SMILESCC(C)(C)c1nc2ccc(CC3(N)CC3)cc2[nH]1
InChIInChI=1S/C15H21N3/c1-14(2,3)13-17-11-5-4-10(8-12(11)18-13)9-15(16)6-7-15/h4-5,8H,6-7,9,16H2,1-3H3,(H,17,18)
InChIKeyMLGASUMOBLNEJG-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.89
Rot. Bonds2

About 1-[(2-tert-butyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine

1-[(2-tert-butyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine (PubChem CID 117360875) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[(2-tert-butyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(2-tert-butyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine
PubChem CID117360875
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-[(2-tert-butyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine
SMILESCC(C)(C)c1nc2ccc(CC3(N)CC3)cc2[nH]1
InChIInChI=1S/C15H21N3/c1-14(2,3)13-17-11-5-4-10(8-12(11)18-13)9-15(16)6-7-15/h4-5,8H,6-7,9,16H2,1-3H3,(H,17,18)
InChIKeyMLGASUMOBLNEJG-UHFFFAOYSA-N
XLogP2.89
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-tert-butyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine
CID 117431672
3-(2-tert-butyl-3H-benzimidazol-5-yl)propan-1-ol
CID 117336779
3-(2-tert-butyl-3H-benzimidazol-5-yl)propanoic acid
CID 82295246
2-tert-butyl-6-(piperidin-2-ylmethyl)-1H-benzimidazole
CID 117431689
2-tert-butyl-6-methoxy-1H-benzimidazole
CID 58861925
2-amino-2-(2-tert-butyl-3H-benzimidazol-5-yl)ethanol
CID 84696917
[1-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclobutyl]methanamine
CID 116929339
2-tert-butyl-N-(pyridin-4-ylmethyl)-3H-benzimidazol-5-amine
CID 28714219
2-amino-2-(6-tert-butyl-1H-benzimidazol-2-yl)propan-1-ol
CID 123261460
[2-(1,1,2,2,2-pentafluoroethyl)-3H-benzimidazol-5-yl]methanamine
CID 79004482
2-tert-butyl-N-methoxy-3H-benzimidazol-5-amine
CID 155399354
2-[[(2-tert-butyl-3H-benzimidazol-5-yl)amino]methyl]-2-methylbutan-1-ol
CID 81399858

Frequently Asked Questions

What is the IUPAC name of 1-[(2-tert-butyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(2-tert-butyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine (CID 117360875) is 1-[(2-tert-butyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(2-tert-butyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(2-tert-butyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine is CC(C)(C)c1nc2ccc(CC3(N)CC3)cc2[nH]1.
What is the InChIKey of 1-[(2-tert-butyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine?
The InChIKey is MLGASUMOBLNEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-14(2,3)13-17-11-5-4-10(8-12(11)18-13)9-15(16)6-7-15/h4-5,8H,6-7,9,16H2,1-3H3,(H,17,18).
What are the key properties of 1-[(2-tert-butyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine?
1-[(2-tert-butyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-tert-butyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117360875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).