N-[[2-(methoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine

C16H17N3O — CID 60923540

IUPACN-[[2-(methoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine
SMILESCOCc1ccccc1CNc1nc2ccccc2[nH]1
InChIInChI=1S/C16H17N3O/c1-20-11-13-7-3-2-6-12(13)10-17-16-18-14-8-4-5-9-15(14)19-16/h2-9H,10-11H2,1H3,(H2,17,18,19)
InChIKeyKCWKTJZJQDYGRJ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.32
Rot. Bonds5

About N-[[2-(methoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine

N-[[2-(methoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine (PubChem CID 60923540) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine
PubChem CID60923540
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine
SMILESCOCc1ccccc1CNc1nc2ccccc2[nH]1
InChIInChI=1S/C16H17N3O/c1-20-11-13-7-3-2-6-12(13)10-17-16-18-14-8-4-5-9-15(14)19-16/h2-9H,10-11H2,1H3,(H2,17,18,19)
InChIKeyKCWKTJZJQDYGRJ-UHFFFAOYSA-N
XLogP3.32
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(propoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 133409737
N-(2-methoxyethyl)-1H-benzimidazol-2-amine
CID 16653132
N-[[2-(difluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 154703945
N-[(2,4-dimethylphenyl)methyl]-1H-benzimidazol-2-amine
CID 115143837
N-[(2-cyclobutyloxyphenyl)methyl]-1H-benzimidazol-2-amine
CID 133410366
4-[(1H-benzimidazol-2-ylamino)methyl]phenol
CID 83296982
N-(2-methoxy-2-methylpropyl)-1H-benzimidazol-2-amine
CID 115865687
N-(4-methoxy-2,2-dimethylbutyl)-1H-benzimidazol-2-amine
CID 104624011
N-[[3-[(1H-benzimidazol-2-ylamino)methyl]phenyl]methyl]-1H-benzimidazol-2-amine
CID 101271136
N-[(2,5-difluorophenyl)methyl]-1H-benzimidazol-2-amine
CID 63795518
N-[(2-methyl-3-nitrophenyl)methyl]-1H-benzimidazol-2-amine
CID 103111773
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1H-benzimidazol-2-amine
CID 133410892

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine (CID 60923540) is N-[[2-(methoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine is COCc1ccccc1CNc1nc2ccccc2[nH]1.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine?
The InChIKey is KCWKTJZJQDYGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-20-11-13-7-3-2-6-12(13)10-17-16-18-14-8-4-5-9-15(14)19-16/h2-9H,10-11H2,1H3,(H2,17,18,19).
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine?
N-[[2-(methoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine has a molecular weight of 267.33 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 60923540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).