2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine

C15H16N4 — CID 115124486

IUPAC2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine
SMILESCc1nc2ccc(CNc3ccccc3N)cc2[nH]1
InChIInChI=1S/C15H16N4/c1-10-18-14-7-6-11(8-15(14)19-10)9-17-13-5-3-2-4-12(13)16/h2-8,17H,9,16H2,1H3,(H,18,19)
InChIKeyHKNLJOICNBRGJH-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.07
Rot. Bonds3

About 2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine

2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine (PubChem CID 115124486) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine
PubChem CID115124486
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine
SMILESCc1nc2ccc(CNc3ccccc3N)cc2[nH]1
InChIInChI=1S/C15H16N4/c1-10-18-14-7-6-11(8-15(14)19-10)9-17-13-5-3-2-4-12(13)16/h2-8,17H,9,16H2,1H3,(H,18,19)
InChIKeyHKNLJOICNBRGJH-UHFFFAOYSA-N
XLogP3.07
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine
CID 115126073
N-(hydrazinylmethyl)-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 115260836
3-methyl-3-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]butane-1,3-diamine
CID 115134746
(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
N-methyl-N'-[(2-methyl-3H-benzimidazol-5-yl)methyl]ethane-1,2-diamine
CID 115195888
(2S)-2-methoxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]-2-phenylacetamide
CID 99995565
4-[[(2-methyl-3H-benzimidazol-5-yl)amino]methyl]phenol
CID 43746360
2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 115139875
2-N-[(4-propylphenyl)methyl]benzene-1,2-diamine
CID 115124445
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 115244142
N-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 62121977
2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-2-ol
CID 116928691

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine?
The IUPAC name of 2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine (CID 115124486) is 2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine is Cc1nc2ccc(CNc3ccccc3N)cc2[nH]1.
What is the InChIKey of 2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine?
The InChIKey is HKNLJOICNBRGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-10-18-14-7-6-11(8-15(14)19-10)9-17-13-5-3-2-4-12(13)16/h2-8,17H,9,16H2,1H3,(H,18,19).
What are the key properties of 2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine?
2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine has a molecular weight of 252.32 g/mol, XLogP of 3.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 115124486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).