[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine

C16H23N3 — CID 81161158

IUPAC[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine
SMILESCC(C)n1c(CC2(CN)CCC2)nc2ccccc21
InChIInChI=1S/C16H23N3/c1-12(2)19-14-7-4-3-6-13(14)18-15(19)10-16(11-17)8-5-9-16/h3-4,6-7,12H,5,8-11,17H2,1-2H3
InChIKeySGQOCHNVYIPETP-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.29
Rot. Bonds4

About [1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine

[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine (PubChem CID 81161158) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is [1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine
PubChem CID81161158
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine
SMILESCC(C)n1c(CC2(CN)CCC2)nc2ccccc21
InChIInChI=1S/C16H23N3/c1-12(2)19-14-7-4-3-6-13(14)18-15(19)10-16(11-17)8-5-9-16/h3-4,6-7,12H,5,8-11,17H2,1-2H3
InChIKeySGQOCHNVYIPETP-UHFFFAOYSA-N
XLogP3.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-propan-2-ylbenzimidazol-2-yl)propan-2-amine
CID 43171099
[2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]phenyl]methanamine
CID 81312674
2-[(1-propan-2-ylbenzimidazol-2-yl)methyl]butan-1-amine
CID 81073466
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 60834225
4-(aminomethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]oxane-4-carboxamide
CID 120942051
2-(1-propan-2-ylbenzimidazol-2-yl)acetonitrile
CID 55247145
N-methyl-3-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 43152019
1-(1-propan-2-ylbenzimidazol-2-yl)cyclohexan-1-amine
CID 61292527
[1-(2-methylpropyl)benzimidazol-2-yl]methanamine;dihydrochloride
CID 163331235
N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline
CID 60835044
2-[(1-propan-2-ylbenzimidazol-2-yl)methoxy]acetic acid
CID 61329129
[1-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine
CID 81161695

Frequently Asked Questions

What is the IUPAC name of [1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine?
The IUPAC name of [1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine (CID 81161158) is [1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine is CC(C)n1c(CC2(CN)CCC2)nc2ccccc21.
What is the InChIKey of [1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine?
The InChIKey is SGQOCHNVYIPETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12(2)19-14-7-4-3-6-13(14)18-15(19)10-16(11-17)8-5-9-16/h3-4,6-7,12H,5,8-11,17H2,1-2H3.
What are the key properties of [1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine?
[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine has a molecular weight of 257.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine is sourced from PubChem (CID 81161158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).