3-(2-methylbenzimidazol-1-yl)butan-2-amine

C12H17N3 — CID 61351774

IUPAC3-(2-methylbenzimidazol-1-yl)butan-2-amine
SMILESCc1nc2ccccc2n1C(C)C(C)N
InChIInChI=1S/C12H17N3/c1-8(13)9(2)15-10(3)14-11-6-4-5-7-12(11)15/h4-9H,13H2,1-3H3
InChIKeyVDNQPTKYTAJBDP-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.25
Rot. Bonds2

About 3-(2-methylbenzimidazol-1-yl)butan-2-amine

3-(2-methylbenzimidazol-1-yl)butan-2-amine (PubChem CID 61351774) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-(2-methylbenzimidazol-1-yl)butan-2-amine.

Molecular Properties

Compound Name3-(2-methylbenzimidazol-1-yl)butan-2-amine
PubChem CID61351774
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name3-(2-methylbenzimidazol-1-yl)butan-2-amine
SMILESCc1nc2ccccc2n1C(C)C(C)N
InChIInChI=1S/C12H17N3/c1-8(13)9(2)15-10(3)14-11-6-4-5-7-12(11)15/h4-9H,13H2,1-3H3
InChIKeyVDNQPTKYTAJBDP-UHFFFAOYSA-N
XLogP2.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-chloropropan-2-yl)-2-methylbenzimidazole
CID 21239359
1-[2-(2-methylbenzimidazol-1-yl)phenyl]ethanamine
CID 43823548
2-(2-methylbenzimidazol-1-yl)propanoic acid
CID 5236849
(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 25315233
(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethanamine;hydrochloride
CID 133143586
2-(2-methylbenzimidazol-1-yl)-N-propylpropan-1-amine
CID 62563525
N-tert-butyl-3-methyl-2-(2-methylbenzimidazol-1-yl)butan-1-amine
CID 62563007
methyl 2-(2-methylbenzimidazol-1-yl)butanoate
CID 4000704
2-fluoro-1-propan-2-ylbenzimidazole
CID 141105255
2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propan-1-amine;hydrochloride
CID 122169362
1-(1-propan-2-ylbenzimidazol-2-yl)propan-2-amine
CID 43171099
N-methyl-2-(2-methylbenzimidazol-1-yl)-2-phenylethanamine
CID 62563009

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbenzimidazol-1-yl)butan-2-amine?
The IUPAC name of 3-(2-methylbenzimidazol-1-yl)butan-2-amine (CID 61351774) is 3-(2-methylbenzimidazol-1-yl)butan-2-amine.
What is the SMILES notation for 3-(2-methylbenzimidazol-1-yl)butan-2-amine?
The canonical SMILES for 3-(2-methylbenzimidazol-1-yl)butan-2-amine is Cc1nc2ccccc2n1C(C)C(C)N.
What is the InChIKey of 3-(2-methylbenzimidazol-1-yl)butan-2-amine?
The InChIKey is VDNQPTKYTAJBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-8(13)9(2)15-10(3)14-11-6-4-5-7-12(11)15/h4-9H,13H2,1-3H3.
What are the key properties of 3-(2-methylbenzimidazol-1-yl)butan-2-amine?
3-(2-methylbenzimidazol-1-yl)butan-2-amine has a molecular weight of 203.29 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbenzimidazol-1-yl)butan-2-amine is sourced from PubChem (CID 61351774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).