2-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine

C15H19N3 — CID 115003886

IUPAC2-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine
SMILESCc1cccc(Cc2nc3c([nH]2)CC(N)CC3)c1
InChIInChI=1S/C15H19N3/c1-10-3-2-4-11(7-10)8-15-17-13-6-5-12(16)9-14(13)18-15/h2-4,7,12H,5-6,8-9,16H2,1H3,(H,17,18)
InChIKeyMJDNINYTKIAGSQ-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.12
Rot. Bonds2

About 2-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine

2-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine (PubChem CID 115003886) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine
PubChem CID115003886
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine
SMILESCc1cccc(Cc2nc3c([nH]2)CC(N)CC3)c1
InChIInChI=1S/C15H19N3/c1-10-3-2-4-11(7-10)8-15-17-13-6-5-12(16)9-14(13)18-15/h2-4,7,12H,5-6,8-9,16H2,1H3,(H,17,18)
InChIKeyMJDNINYTKIAGSQ-UHFFFAOYSA-N
XLogP2.12
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(6-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)methyl]phenol
CID 115066165
2-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid
CID 115066146
2-(6-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanol
CID 83436593
2-[(3-methylphenyl)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136924665
2-amino-6-[(3-methylphenyl)methyl]-1H-1,3,5-triazine-4-thione
CID 83240427
2-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol
CID 115066575
2-[(3-bromophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine
CID 115066599
4-methyl-1-[5-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102798846
2-[[6-(aminomethyl)-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl]methyl]phenol
CID 115066191
3-[(6-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]phenol
CID 115066915
6-[(2R)-2-hydroxybutyl]-2-[(3-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135619248
1-[5-[(3-methylphenyl)methyl]pyrimidin-2-yl]piperidin-4-amine
CID 117224089

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine?
The IUPAC name of 2-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine (CID 115003886) is 2-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine?
The canonical SMILES for 2-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine is Cc1cccc(Cc2nc3c([nH]2)CC(N)CC3)c1.
What is the InChIKey of 2-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine?
The InChIKey is MJDNINYTKIAGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-10-3-2-4-11(7-10)8-15-17-13-6-5-12(16)9-14(13)18-15/h2-4,7,12H,5-6,8-9,16H2,1H3,(H,17,18).
What are the key properties of 2-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine?
2-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine has a molecular weight of 241.34 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine is sourced from PubChem (CID 115003886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).