N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1,3-benzoxazol-2-amine

C16H14N4O — CID 133414897

IUPACN-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1,3-benzoxazol-2-amine
SMILESCc1cccc2[nH]c(CNc3nc4ccccc4o3)nc12
InChIInChI=1S/C16H14N4O/c1-10-5-4-7-12-15(10)20-14(18-12)9-17-16-19-11-6-2-3-8-13(11)21-16/h2-8H,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyAHIWYFIHFHSGGW-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.62
Rot. Bonds3

About N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1,3-benzoxazol-2-amine

N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1,3-benzoxazol-2-amine (PubChem CID 133414897) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1,3-benzoxazol-2-amine
PubChem CID133414897
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC NameN-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1,3-benzoxazol-2-amine
SMILESCc1cccc2[nH]c(CNc3nc4ccccc4o3)nc12
InChIInChI=1S/C16H14N4O/c1-10-5-4-7-12-15(10)20-14(18-12)9-17-16-19-11-6-2-3-8-13(11)21-16/h2-8H,9H2,1H3,(H,17,19)(H,18,20)
InChIKeyAHIWYFIHFHSGGW-UHFFFAOYSA-N
XLogP3.62
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine
CID 26722492
2-benzyl-4-methyl-1H-benzimidazole
CID 12948781
N-methyl-1-(4-methyl-1H-benzimidazol-2-yl)-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]methanamine
CID 58884472
2-(chloromethyl)-4-methyl-1H-benzimidazole
CID 12953834
5-ethyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70783218
1-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-4,5-dihydroimidazol-2-amine
CID 120971911
N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzoxazol-2-amine
CID 133422903
N-propyl-1,3-benzoxazol-2-amine
CID 584386
N-[(4-methyl-1H-benzimidazol-2-yl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 133415002
5,6-dimethyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133414992
2-[(2-fluorophenyl)methyl]-4-methyl-1H-benzimidazole
CID 60973900
2-[(4-methyl-1H-benzimidazol-2-yl)methylamino]pyridine-3-carbonitrile
CID 133414956

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1,3-benzoxazol-2-amine (CID 133414897) is N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1,3-benzoxazol-2-amine is Cc1cccc2[nH]c(CNc3nc4ccccc4o3)nc12.
What is the InChIKey of N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1,3-benzoxazol-2-amine?
The InChIKey is AHIWYFIHFHSGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-10-5-4-7-12-15(10)20-14(18-12)9-17-16-19-11-6-2-3-8-13(11)21-16/h2-8H,9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1,3-benzoxazol-2-amine?
N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1,3-benzoxazol-2-amine has a molecular weight of 278.31 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 133414897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).