N-[(2-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazol-5-amine;hydrochloride

C18H22ClN3O — CID 6459986

IUPACN-[(2-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazol-5-amine;hydrochloride
SMILESCOc1ccccc1CNc1ccc2c(c1)ncn2C(C)C.Cl
InChIInChI=1S/C18H21N3O.ClH/c1-13(2)21-12-20-16-10-15(8-9-17(16)21)19-11-14-6-4-5-7-18(14)22-3;/h4-10,12-13,19H,11H2,1-3H3;1H
InChIKeyNVVDKLGUCDEONJ-UHFFFAOYSA-N
MW331.85 g/mol
LogP4.66
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazol-5-amine;hydrochloride

N-[(2-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazol-5-amine;hydrochloride (PubChem CID 6459986) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazol-5-amine;hydrochloride.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazol-5-amine;hydrochloride
PubChem CID6459986
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazol-5-amine;hydrochloride
SMILESCOc1ccccc1CNc1ccc2c(c1)ncn2C(C)C.Cl
InChIInChI=1S/C18H21N3O.ClH/c1-13(2)21-12-20-16-10-15(8-9-17(16)21)19-11-14-6-4-5-7-18(14)22-3;/h4-10,12-13,19H,11H2,1-3H3;1H
InChIKeyNVVDKLGUCDEONJ-UHFFFAOYSA-N
XLogP4.66
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_bim(9)', 'substructure': 'N/A'}, {'alert_name': 'anil_alk_A(1)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-propan-2-ylbenzimidazol-5-amine
CID 22427236
1-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzimidazol-5-amine
CID 59372972
1-benzyl-N-[(2-methoxyphenyl)methyl]-2-methylbenzimidazol-5-amine
CID 1111671
3-ethoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 54800907
N-[(2-methoxyphenyl)methyl]-1-benzothiophen-5-amine
CID 43687708
N-[(2,3-dimethoxyphenyl)methyl]-1,2-dimethylbenzimidazol-5-amine
CID 628339
2-chloro-4-[(2-methoxyphenyl)methylamino]phenol
CID 107678386
5-[(2-methoxyphenyl)methylamino]-2-methylisoindole-1,3-dione
CID 43823713
2-phenyl-N-(1-propan-2-ylbenzimidazol-5-yl)ethanesulfonamide
CID 110779166
5-(2-methylbutan-2-yl)-1-propan-2-ylbenzimidazole
CID 176701943
N-[(2-methoxyphenyl)methyl]-2-methyl-4-pyrrolidin-1-ylquinolin-7-amine
CID 10236941
N-[(2,4-dimethoxyphenyl)methyl]-3-propan-2-ylimidazo[4,5-b]pyridin-5-amine
CID 170700349

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazol-5-amine;hydrochloride?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazol-5-amine;hydrochloride (CID 6459986) is N-[(2-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazol-5-amine;hydrochloride.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazol-5-amine;hydrochloride?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazol-5-amine;hydrochloride is COc1ccccc1CNc1ccc2c(c1)ncn2C(C)C.Cl.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazol-5-amine;hydrochloride?
The InChIKey is NVVDKLGUCDEONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O.ClH/c1-13(2)21-12-20-16-10-15(8-9-17(16)21)19-11-14-6-4-5-7-18(14)22-3;/h4-10,12-13,19H,11H2,1-3H3;1H.
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazol-5-amine;hydrochloride?
N-[(2-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazol-5-amine;hydrochloride has a molecular weight of 331.85 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazol-5-amine;hydrochloride is sourced from PubChem (CID 6459986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).