1-methyl-4-phenylmethoxybenzimidazol-2-amine

C15H15N3O — CID 144791590

IUPAC1-methyl-4-phenylmethoxybenzimidazol-2-amine
SMILESCn1c(N)nc2c(OCc3ccccc3)cccc21
InChIInChI=1S/C15H15N3O/c1-18-12-8-5-9-13(14(12)17-15(18)16)19-10-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H2,16,17)
InChIKeyGPRHSDRQWNRZFH-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.73
Rot. Bonds3

About 1-methyl-4-phenylmethoxybenzimidazol-2-amine

1-methyl-4-phenylmethoxybenzimidazol-2-amine (PubChem CID 144791590) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-methyl-4-phenylmethoxybenzimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-4-phenylmethoxybenzimidazol-2-amine
PubChem CID144791590
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name1-methyl-4-phenylmethoxybenzimidazol-2-amine
SMILESCn1c(N)nc2c(OCc3ccccc3)cccc21
InChIInChI=1S/C15H15N3O/c1-18-12-8-5-9-13(14(12)17-15(18)16)19-10-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H2,16,17)
InChIKeyGPRHSDRQWNRZFH-UHFFFAOYSA-N
XLogP2.73
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-1-methyl-4-phenylmethoxybenzimidazole
CID 141096815
1-methyl-4-phenylmethoxyindazole
CID 143030970
1,3-dimethyl-4-phenylmethoxybenzimidazol-2-one
CID 70827960
2-ethyl-4-phenylmethoxy-1-(pyridin-2-ylmethyl)benzimidazole
CID 66760614
(2R)-3-[[4-(2-amino-1-methylbenzimidazol-4-yl)oxy-3,5-dimethoxybenzoyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 118997127
1,4-dimethylbenzimidazol-2-amine;dihydrochloride
CID 174932005
8-phenylmethoxyquinazoline
CID 171373765
3-phenylmethoxybenzene-1,2-diamine;hydrochloride
CID 172882825
1-(1-methoxyethoxy)-2-phenylmethoxybenzene
CID 22756308
2-bromo-8-phenylmethoxyquinoxaline
CID 133061974
1-ethyl-4-phenylmethoxyindole
CID 24776902
5-phenylmethoxyquinazoline-2,4-diamine
CID 11536300

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenylmethoxybenzimidazol-2-amine?
The IUPAC name of 1-methyl-4-phenylmethoxybenzimidazol-2-amine (CID 144791590) is 1-methyl-4-phenylmethoxybenzimidazol-2-amine.
What is the SMILES notation for 1-methyl-4-phenylmethoxybenzimidazol-2-amine?
The canonical SMILES for 1-methyl-4-phenylmethoxybenzimidazol-2-amine is Cn1c(N)nc2c(OCc3ccccc3)cccc21.
What is the InChIKey of 1-methyl-4-phenylmethoxybenzimidazol-2-amine?
The InChIKey is GPRHSDRQWNRZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-18-12-8-5-9-13(14(12)17-15(18)16)19-10-11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H2,16,17).
What are the key properties of 1-methyl-4-phenylmethoxybenzimidazol-2-amine?
1-methyl-4-phenylmethoxybenzimidazol-2-amine has a molecular weight of 253.31 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenylmethoxybenzimidazol-2-amine is sourced from PubChem (CID 144791590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).