2-[4-(2-methylbenzimidazol-1-yl)phenyl]ethanamine

C16H17N3 — CID 82513889

IUPAC2-[4-(2-methylbenzimidazol-1-yl)phenyl]ethanamine
SMILESCc1nc2ccccc2n1-c1ccc(CCN)cc1
InChIInChI=1S/C16H17N3/c1-12-18-15-4-2-3-5-16(15)19(12)14-8-6-13(7-9-14)10-11-17/h2-9H,10-11,17H2,1H3
InChIKeyWDTUHJZRMFUOHV-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.84
Rot. Bonds3

About 2-[4-(2-methylbenzimidazol-1-yl)phenyl]ethanamine

2-[4-(2-methylbenzimidazol-1-yl)phenyl]ethanamine (PubChem CID 82513889) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[4-(2-methylbenzimidazol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-methylbenzimidazol-1-yl)phenyl]ethanamine
PubChem CID82513889
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name2-[4-(2-methylbenzimidazol-1-yl)phenyl]ethanamine
SMILESCc1nc2ccccc2n1-c1ccc(CCN)cc1
InChIInChI=1S/C16H17N3/c1-12-18-15-4-2-3-5-16(15)19(12)14-8-6-13(7-9-14)10-11-17/h2-9H,10-11,17H2,1H3
InChIKeyWDTUHJZRMFUOHV-UHFFFAOYSA-N
XLogP2.84
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 87412320
1-[4-(2-aminoethyl)phenyl]-3-methylbenzimidazol-2-one
CID 82514426
2-methyl-1-[4-(3-methylbut-2-enoxy)phenyl]benzimidazole
CID 134102980
2-methyl-3-phenylbenzimidazol-5-amine
CID 9115278
2-methyl-1-[4-(10-triphenylen-2-ylanthracen-9-yl)phenyl]benzimidazole
CID 139519819
2-methyl-4-[4-(2-methylbenzimidazol-1-yl)phenyl]-1-phenylbenzimidazole
CID 143742531
1-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 58898414
2-methyl-1-[4-[[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]methyl]phenyl]benzimidazole
CID 24897441
2-methyl-4-(2-methylbenzimidazol-1-yl)benzamide
CID 81276129
2-methyl-1-[4-[10-[3-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 59408445
dibenzothiophene;ethane;tris(2-methyl-1-phenylbenzimidazole);phenanthrene
CID 157228707
2-[4-(1-phenylbenzimidazol-2-yl)phenyl]ethanol
CID 118619438

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylbenzimidazol-1-yl)phenyl]ethanamine?
The IUPAC name of 2-[4-(2-methylbenzimidazol-1-yl)phenyl]ethanamine (CID 82513889) is 2-[4-(2-methylbenzimidazol-1-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(2-methylbenzimidazol-1-yl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(2-methylbenzimidazol-1-yl)phenyl]ethanamine is Cc1nc2ccccc2n1-c1ccc(CCN)cc1.
What is the InChIKey of 2-[4-(2-methylbenzimidazol-1-yl)phenyl]ethanamine?
The InChIKey is WDTUHJZRMFUOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-12-18-15-4-2-3-5-16(15)19(12)14-8-6-13(7-9-14)10-11-17/h2-9H,10-11,17H2,1H3.
What are the key properties of 2-[4-(2-methylbenzimidazol-1-yl)phenyl]ethanamine?
2-[4-(2-methylbenzimidazol-1-yl)phenyl]ethanamine has a molecular weight of 251.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylbenzimidazol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 82513889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).