N-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-amine;hydrochloride

C17H20ClN3O3 — CID 5307594

IUPACN-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-amine;hydrochloride
SMILESCOc1cc(CNc2nc3ccccc3[nH]2)cc(OC)c1OC.Cl
InChIInChI=1S/C17H19N3O3.ClH/c1-21-14-8-11(9-15(22-2)16(14)23-3)10-18-17-19-12-6-4-5-7-13(12)20-17;/h4-9H,10H2,1-3H3,(H2,18,19,20);1H
InChIKeyJDTPEXXSSJROLQ-UHFFFAOYSA-N
MW349.82 g/mol
LogP3.62
Rot. Bonds6

About N-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-amine;hydrochloride

N-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-amine;hydrochloride (PubChem CID 5307594) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is N-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-amine;hydrochloride
PubChem CID5307594
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC NameN-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-amine;hydrochloride
SMILESCOc1cc(CNc2nc3ccccc3[nH]2)cc(OC)c1OC.Cl
InChIInChI=1S/C17H19N3O3.ClH/c1-21-14-8-11(9-15(22-2)16(14)23-3)10-18-17-19-12-6-4-5-7-13(12)20-17;/h4-9H,10H2,1-3H3,(H2,18,19,20);1H
InChIKeyJDTPEXXSSJROLQ-UHFFFAOYSA-N
XLogP3.62
TPSA68.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-amine;hydrochloride?
The IUPAC name of N-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-amine;hydrochloride (CID 5307594) is N-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-amine;hydrochloride.
What is the SMILES notation for N-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-amine;hydrochloride?
The canonical SMILES for N-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-amine;hydrochloride is COc1cc(CNc2nc3ccccc3[nH]2)cc(OC)c1OC.Cl.
What is the InChIKey of N-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-amine;hydrochloride?
The InChIKey is JDTPEXXSSJROLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3.ClH/c1-21-14-8-11(9-15(22-2)16(14)23-3)10-18-17-19-12-6-4-5-7-13(12)20-17;/h4-9H,10H2,1-3H3,(H2,18,19,20);1H.
What are the key properties of N-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-amine;hydrochloride?
N-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-amine;hydrochloride has a molecular weight of 349.82 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-amine;hydrochloride is sourced from PubChem (CID 5307594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).