1-butylbenzimidazol-2-amine

C11H15N3 — CID 2772288

IUPAC1-butylbenzimidazol-2-amine
SMILESCCCCn1c(N)nc2ccccc21
InChIInChI=1S/C11H15N3/c1-2-3-8-14-10-7-5-4-6-9(10)13-11(14)12/h4-7H,2-3,8H2,1H3,(H2,12,13)
InChIKeyBPFMGSARUNSBFM-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.42
Rot. Bonds3

About 1-butylbenzimidazol-2-amine

1-butylbenzimidazol-2-amine (PubChem CID 2772288) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-butylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-butylbenzimidazol-2-amine
PubChem CID2772288
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name1-butylbenzimidazol-2-amine
SMILESCCCCn1c(N)nc2ccccc21
InChIInChI=1S/C11H15N3/c1-2-3-8-14-10-7-5-4-6-9(10)13-11(14)12/h4-7H,2-3,8H2,1H3,(H2,12,13)
InChIKeyBPFMGSARUNSBFM-UHFFFAOYSA-N
XLogP2.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butylbenzimidazol-2-amine?
The IUPAC name of 1-butylbenzimidazol-2-amine (CID 2772288) is 1-butylbenzimidazol-2-amine.
What is the SMILES notation for 1-butylbenzimidazol-2-amine?
The canonical SMILES for 1-butylbenzimidazol-2-amine is CCCCn1c(N)nc2ccccc21.
What is the InChIKey of 1-butylbenzimidazol-2-amine?
The InChIKey is BPFMGSARUNSBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-3-8-14-10-7-5-4-6-9(10)13-11(14)12/h4-7H,2-3,8H2,1H3,(H2,12,13).
What are the key properties of 1-butylbenzimidazol-2-amine?
1-butylbenzimidazol-2-amine has a molecular weight of 189.26 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylbenzimidazol-2-amine is sourced from PubChem (CID 2772288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).