N-butyl-N-methyl-1H-benzimidazol-2-amine

C12H17N3 — CID 71723451

IUPACN-butyl-N-methyl-1H-benzimidazol-2-amine
SMILESCCCCN(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C12H17N3/c1-3-4-9-15(2)12-13-10-7-5-6-8-11(10)14-12/h5-8H,3-4,9H2,1-2H3,(H,13,14)
InChIKeyANLDJFLVPKZMGO-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.80
Rot. Bonds4

About N-butyl-N-methyl-1H-benzimidazol-2-amine

N-butyl-N-methyl-1H-benzimidazol-2-amine (PubChem CID 71723451) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is N-butyl-N-methyl-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-butyl-N-methyl-1H-benzimidazol-2-amine
PubChem CID71723451
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC NameN-butyl-N-methyl-1H-benzimidazol-2-amine
SMILESCCCCN(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C12H17N3/c1-3-4-9-15(2)12-13-10-7-5-6-8-11(10)14-12/h5-8H,3-4,9H2,1-2H3,(H,13,14)
InChIKeyANLDJFLVPKZMGO-UHFFFAOYSA-N
XLogP2.80
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-1H-benzimidazol-2-amine?
The IUPAC name of N-butyl-N-methyl-1H-benzimidazol-2-amine (CID 71723451) is N-butyl-N-methyl-1H-benzimidazol-2-amine.
What is the SMILES notation for N-butyl-N-methyl-1H-benzimidazol-2-amine?
The canonical SMILES for N-butyl-N-methyl-1H-benzimidazol-2-amine is CCCCN(C)c1nc2ccccc2[nH]1.
What is the InChIKey of N-butyl-N-methyl-1H-benzimidazol-2-amine?
The InChIKey is ANLDJFLVPKZMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-3-4-9-15(2)12-13-10-7-5-6-8-11(10)14-12/h5-8H,3-4,9H2,1-2H3,(H,13,14).
What are the key properties of N-butyl-N-methyl-1H-benzimidazol-2-amine?
N-butyl-N-methyl-1H-benzimidazol-2-amine has a molecular weight of 203.29 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-1H-benzimidazol-2-amine is sourced from PubChem (CID 71723451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).