2-butyl-1-methylbenzimidazol-5-amine

C12H17N3 — CID 58382812

IUPAC2-butyl-1-methylbenzimidazol-5-amine
SMILESCCCCc1nc2cc(N)ccc2n1C
InChIInChI=1S/C12H17N3/c1-3-4-5-12-14-10-8-9(13)6-7-11(10)15(12)2/h6-8H,3-5,13H2,1-2H3
InChIKeyNOWJTWNKVLCLKV-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.50
Rot. Bonds3

About 2-butyl-1-methylbenzimidazol-5-amine

2-butyl-1-methylbenzimidazol-5-amine (PubChem CID 58382812) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-butyl-1-methylbenzimidazol-5-amine.

Molecular Properties

Compound Name2-butyl-1-methylbenzimidazol-5-amine
PubChem CID58382812
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-butyl-1-methylbenzimidazol-5-amine
SMILESCCCCc1nc2cc(N)ccc2n1C
InChIInChI=1S/C12H17N3/c1-3-4-5-12-14-10-8-9(13)6-7-11(10)15(12)2/h6-8H,3-5,13H2,1-2H3
InChIKeyNOWJTWNKVLCLKV-UHFFFAOYSA-N
XLogP2.50
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(5-amino-1-methylbenzimidazol-2-yl)butanoic acid
CID 6488083
4-(5-amino-1-methylbenzimidazol-2-yl)-2-ethylbutanoic acid
CID 67250221
2-butyl-1-methylimidazo[4,5-c]pyridine
CID 150484060
3-[5-amino-1-(3-hydroxypropyl)benzimidazol-2-yl]propan-1-ol
CID 43822520
1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-amine
CID 55080071
2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 71308073
1-methyl-2-pentylindol-5-amine
CID 150191392
(E)-3-(2-hexyl-1-methylbenzimidazol-5-yl)prop-2-enethial
CID 146292109
3-[2-(1,5-dimethylbenzimidazol-2-yl)ethyl]aniline
CID 115339576
2-propyl-1-(2-pyridin-4-ylethyl)benzimidazol-5-amine
CID 62506716
2-butyl-3-methylbenzimidazole-5-carbonitrile
CID 104712322
3-(1-methyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 82333928

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-methylbenzimidazol-5-amine?
The IUPAC name of 2-butyl-1-methylbenzimidazol-5-amine (CID 58382812) is 2-butyl-1-methylbenzimidazol-5-amine.
What is the SMILES notation for 2-butyl-1-methylbenzimidazol-5-amine?
The canonical SMILES for 2-butyl-1-methylbenzimidazol-5-amine is CCCCc1nc2cc(N)ccc2n1C.
What is the InChIKey of 2-butyl-1-methylbenzimidazol-5-amine?
The InChIKey is NOWJTWNKVLCLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-3-4-5-12-14-10-8-9(13)6-7-11(10)15(12)2/h6-8H,3-5,13H2,1-2H3.
What are the key properties of 2-butyl-1-methylbenzimidazol-5-amine?
2-butyl-1-methylbenzimidazol-5-amine has a molecular weight of 203.29 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-methylbenzimidazol-5-amine is sourced from PubChem (CID 58382812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).