N-(3H-benzimidazol-5-ylmethyl)-4-(4-methoxyphenyl)pyridin-3-amine

C20H18N4O — CID 135347411

IUPACN-(3H-benzimidazol-5-ylmethyl)-4-(4-methoxyphenyl)pyridin-3-amine
SMILESCOc1ccc(-c2ccncc2NCc2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C20H18N4O/c1-25-16-5-3-15(4-6-16)17-8-9-21-12-20(17)22-11-14-2-7-18-19(10-14)24-13-23-18/h2-10,12-13,22H,11H2,1H3,(H,23,24)
InChIKeyPKBBGEBAQWFHEW-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.25
Rot. Bonds5

About N-(3H-benzimidazol-5-ylmethyl)-4-(4-methoxyphenyl)pyridin-3-amine

N-(3H-benzimidazol-5-ylmethyl)-4-(4-methoxyphenyl)pyridin-3-amine (PubChem CID 135347411) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-ylmethyl)-4-(4-methoxyphenyl)pyridin-3-amine.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-ylmethyl)-4-(4-methoxyphenyl)pyridin-3-amine
PubChem CID135347411
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC NameN-(3H-benzimidazol-5-ylmethyl)-4-(4-methoxyphenyl)pyridin-3-amine
SMILESCOc1ccc(-c2ccncc2NCc2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C20H18N4O/c1-25-16-5-3-15(4-6-16)17-8-9-21-12-20(17)22-11-14-2-7-18-19(10-14)24-13-23-18/h2-10,12-13,22H,11H2,1H3,(H,23,24)
InChIKeyPKBBGEBAQWFHEW-UHFFFAOYSA-N
XLogP4.25
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3H-benzimidazol-5-ylmethyl)-2-(4-phenoxyphenyl)aniline
CID 135347401
N-(3H-benzimidazol-5-ylmethyl)-2-(4-propoxyphenyl)aniline
CID 135347319
N-(3H-benzimidazol-5-ylmethyl)-2-(4-cyclohexyloxyphenyl)aniline
CID 135347469
N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)pyridin-2-amine
CID 142440503
N-(3H-benzimidazol-5-ylmethyl)-2-(4-fluorophenyl)pyridin-3-amine
CID 135347418
6-(4-methoxyphenoxy)-1H-benzimidazole
CID 59279300
N-(3H-benzimidazol-5-ylmethyl)-2-chloropyrimidin-4-amine
CID 88890559
2-(3H-benzimidazol-5-ylmethylamino)acetonitrile
CID 115131027
N'-(3H-benzimidazol-5-ylmethyl)-N-methylmethanediamine
CID 115226891
methyl 2-(3H-benzimidazol-5-ylmethylamino)-2-oxoacetate
CID 115142411
N-(3H-benzimidazol-5-ylmethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 126836079
2-N-(3H-benzimidazol-5-ylmethyl)-3-methylpyridine-2,5-diamine
CID 115147966

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-4-(4-methoxyphenyl)pyridin-3-amine?
The IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-4-(4-methoxyphenyl)pyridin-3-amine (CID 135347411) is N-(3H-benzimidazol-5-ylmethyl)-4-(4-methoxyphenyl)pyridin-3-amine.
What is the SMILES notation for N-(3H-benzimidazol-5-ylmethyl)-4-(4-methoxyphenyl)pyridin-3-amine?
The canonical SMILES for N-(3H-benzimidazol-5-ylmethyl)-4-(4-methoxyphenyl)pyridin-3-amine is COc1ccc(-c2ccncc2NCc2ccc3nc[nH]c3c2)cc1.
What is the InChIKey of N-(3H-benzimidazol-5-ylmethyl)-4-(4-methoxyphenyl)pyridin-3-amine?
The InChIKey is PKBBGEBAQWFHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-25-16-5-3-15(4-6-16)17-8-9-21-12-20(17)22-11-14-2-7-18-19(10-14)24-13-23-18/h2-10,12-13,22H,11H2,1H3,(H,23,24).
What are the key properties of N-(3H-benzimidazol-5-ylmethyl)-4-(4-methoxyphenyl)pyridin-3-amine?
N-(3H-benzimidazol-5-ylmethyl)-4-(4-methoxyphenyl)pyridin-3-amine has a molecular weight of 330.39 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-ylmethyl)-4-(4-methoxyphenyl)pyridin-3-amine is sourced from PubChem (CID 135347411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).