[2-(cyclobutylmethyl)-3-methylbenzimidazol-5-yl]methanamine

C14H19N3 — CID 103167106

IUPAC[2-(cyclobutylmethyl)-3-methylbenzimidazol-5-yl]methanamine
SMILESCn1c(CC2CCC2)nc2ccc(CN)cc21
InChIInChI=1S/C14H19N3/c1-17-13-7-11(9-15)5-6-12(13)16-14(17)8-10-3-2-4-10/h5-7,10H,2-4,8-9,15H2,1H3
InChIKeyLNBKPEPWXBGNLW-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.37
Rot. Bonds3

About [2-(cyclobutylmethyl)-3-methylbenzimidazol-5-yl]methanamine

[2-(cyclobutylmethyl)-3-methylbenzimidazol-5-yl]methanamine (PubChem CID 103167106) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is [2-(cyclobutylmethyl)-3-methylbenzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(cyclobutylmethyl)-3-methylbenzimidazol-5-yl]methanamine
PubChem CID103167106
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name[2-(cyclobutylmethyl)-3-methylbenzimidazol-5-yl]methanamine
SMILESCn1c(CC2CCC2)nc2ccc(CN)cc21
InChIInChI=1S/C14H19N3/c1-17-13-7-11(9-15)5-6-12(13)16-14(17)8-10-3-2-4-10/h5-7,10H,2-4,8-9,15H2,1H3
InChIKeyLNBKPEPWXBGNLW-UHFFFAOYSA-N
XLogP2.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3-ethoxycyclobutyl)methyl]-3-methylbenzimidazol-5-yl]methanamine
CID 103167107
[6-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol
CID 104713063
[2-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine
CID 104713141
[2-(3,3-dimethylbutyl)-3-methylbenzimidazol-5-yl]methanamine
CID 114212936
6-(aminomethyl)-1-methylbenzimidazol-2-amine
CID 84767207
[3-methyl-2-(2-pyridin-4-ylethyl)benzimidazol-5-yl]methanamine
CID 104712932
2-(cyclopropylmethyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712508
6-ethyl-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 84630966
3-methyl-2-[(3-methylcyclohexyl)methyl]benzimidazole-5-carbonitrile
CID 143699867
[3-methyl-2-(2,2,2-trifluoroethoxymethyl)benzimidazol-5-yl]methanamine
CID 103213116
[2-[(3-bromophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine
CID 104713039
[3-methyl-2-(thiolan-3-yl)benzimidazol-5-yl]methanamine
CID 104712857

Frequently Asked Questions

What is the IUPAC name of [2-(cyclobutylmethyl)-3-methylbenzimidazol-5-yl]methanamine?
The IUPAC name of [2-(cyclobutylmethyl)-3-methylbenzimidazol-5-yl]methanamine (CID 103167106) is [2-(cyclobutylmethyl)-3-methylbenzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-(cyclobutylmethyl)-3-methylbenzimidazol-5-yl]methanamine?
The canonical SMILES for [2-(cyclobutylmethyl)-3-methylbenzimidazol-5-yl]methanamine is Cn1c(CC2CCC2)nc2ccc(CN)cc21.
What is the InChIKey of [2-(cyclobutylmethyl)-3-methylbenzimidazol-5-yl]methanamine?
The InChIKey is LNBKPEPWXBGNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-17-13-7-11(9-15)5-6-12(13)16-14(17)8-10-3-2-4-10/h5-7,10H,2-4,8-9,15H2,1H3.
What are the key properties of [2-(cyclobutylmethyl)-3-methylbenzimidazol-5-yl]methanamine?
[2-(cyclobutylmethyl)-3-methylbenzimidazol-5-yl]methanamine has a molecular weight of 229.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclobutylmethyl)-3-methylbenzimidazol-5-yl]methanamine is sourced from PubChem (CID 103167106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).