(4-methyl-1H-benzimidazol-2-yl)methanamine

C9H11N3 — CID 25219535

IUPAC(4-methyl-1H-benzimidazol-2-yl)methanamine
SMILESCc1cccc2[nH]c(CN)nc12
InChIInChI=1S/C9H11N3/c1-6-3-2-4-7-9(6)12-8(5-10)11-7/h2-4H,5,10H2,1H3,(H,11,12)
InChIKeyFWWGSHDHYQHMBR-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.33
Rot. Bonds1

About (4-methyl-1H-benzimidazol-2-yl)methanamine

(4-methyl-1H-benzimidazol-2-yl)methanamine (PubChem CID 25219535) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is (4-methyl-1H-benzimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(4-methyl-1H-benzimidazol-2-yl)methanamine
PubChem CID25219535
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name(4-methyl-1H-benzimidazol-2-yl)methanamine
SMILESCc1cccc2[nH]c(CN)nc12
InChIInChI=1S/C9H11N3/c1-6-3-2-4-7-9(6)12-8(5-10)11-7/h2-4H,5,10H2,1H3,(H,11,12)
InChIKeyFWWGSHDHYQHMBR-UHFFFAOYSA-N
XLogP1.33
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1H-benzimidazol-2-yl)methanamine?
The IUPAC name of (4-methyl-1H-benzimidazol-2-yl)methanamine (CID 25219535) is (4-methyl-1H-benzimidazol-2-yl)methanamine.
What is the SMILES notation for (4-methyl-1H-benzimidazol-2-yl)methanamine?
The canonical SMILES for (4-methyl-1H-benzimidazol-2-yl)methanamine is Cc1cccc2[nH]c(CN)nc12.
What is the InChIKey of (4-methyl-1H-benzimidazol-2-yl)methanamine?
The InChIKey is FWWGSHDHYQHMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-6-3-2-4-7-9(6)12-8(5-10)11-7/h2-4H,5,10H2,1H3,(H,11,12).
What are the key properties of (4-methyl-1H-benzimidazol-2-yl)methanamine?
(4-methyl-1H-benzimidazol-2-yl)methanamine has a molecular weight of 161.21 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1H-benzimidazol-2-yl)methanamine is sourced from PubChem (CID 25219535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).