(1R)-1-(5-methoxy-6-pyridin-4-yl-1H-benzimidazol-2-yl)-3-methylbutan-1-amine

C18H22N4O — CID 118864392

IUPAC(1R)-1-(5-methoxy-6-pyridin-4-yl-1H-benzimidazol-2-yl)-3-methylbutan-1-amine
SMILESCOc1cc2nc([C@H](N)CC(C)C)[nH]c2cc1-c1ccncc1
InChIInChI=1S/C18H22N4O/c1-11(2)8-14(19)18-21-15-9-13(12-4-6-20-7-5-12)17(23-3)10-16(15)22-18/h4-7,9-11,14H,8,19H2,1-3H3,(H,21,22)/t14-/m1/s1
InChIKeyHFGAWUJLYJNHOG-CQSZACIVSA-N
MW310.40 g/mol
LogP3.68
Rot. Bonds5

About (1R)-1-(5-methoxy-6-pyridin-4-yl-1H-benzimidazol-2-yl)-3-methylbutan-1-amine

(1R)-1-(5-methoxy-6-pyridin-4-yl-1H-benzimidazol-2-yl)-3-methylbutan-1-amine (PubChem CID 118864392) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is (1R)-1-(5-methoxy-6-pyridin-4-yl-1H-benzimidazol-2-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name(1R)-1-(5-methoxy-6-pyridin-4-yl-1H-benzimidazol-2-yl)-3-methylbutan-1-amine
PubChem CID118864392
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name(1R)-1-(5-methoxy-6-pyridin-4-yl-1H-benzimidazol-2-yl)-3-methylbutan-1-amine
SMILESCOc1cc2nc([C@H](N)CC(C)C)[nH]c2cc1-c1ccncc1
InChIInChI=1S/C18H22N4O/c1-11(2)8-14(19)18-21-15-9-13(12-4-6-20-7-5-12)17(23-3)10-16(15)22-18/h4-7,9-11,14H,8,19H2,1-3H3,(H,21,22)/t14-/m1/s1
InChIKeyHFGAWUJLYJNHOG-CQSZACIVSA-N
XLogP3.68
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 67626319
3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine
CID 43379497
(1R)-3-methyl-1-[6-(1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]butan-1-amine
CID 130405228
3-(5,6-dimethoxy-1H-benzimidazol-2-yl)butan-2-amine
CID 113416030
4-methyl-2-(6-pyridin-4-yl-1H-benzimidazol-2-yl)pentan-1-amine
CID 118864462
3-methyl-1-(1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazol-2-yl)butan-1-amine
CID 43114498
5-methoxy-6-pyridin-4-yl-1H-indazole
CID 166635017
(1R)-N,3-dimethyl-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)butan-1-amine
CID 118864343
(1S)-1-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethanol
CID 66264286
N-[1-[5-imidazol-1-yl-6-(4-pyridin-4-ylphenyl)-1H-benzimidazol-2-yl]ethyl]-2,6-dimethoxy-N-methylaniline
CID 70289830
1-[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
CID 43651303
(1R)-2-(4-methoxyphenyl)-1-(6-pyridin-4-yl-1H-benzimidazol-2-yl)ethanamine;bis(2,2,2-trifluoroacetic acid)
CID 117074664

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-methoxy-6-pyridin-4-yl-1H-benzimidazol-2-yl)-3-methylbutan-1-amine?
The IUPAC name of (1R)-1-(5-methoxy-6-pyridin-4-yl-1H-benzimidazol-2-yl)-3-methylbutan-1-amine (CID 118864392) is (1R)-1-(5-methoxy-6-pyridin-4-yl-1H-benzimidazol-2-yl)-3-methylbutan-1-amine.
What is the SMILES notation for (1R)-1-(5-methoxy-6-pyridin-4-yl-1H-benzimidazol-2-yl)-3-methylbutan-1-amine?
The canonical SMILES for (1R)-1-(5-methoxy-6-pyridin-4-yl-1H-benzimidazol-2-yl)-3-methylbutan-1-amine is COc1cc2nc([C@H](N)CC(C)C)[nH]c2cc1-c1ccncc1.
What is the InChIKey of (1R)-1-(5-methoxy-6-pyridin-4-yl-1H-benzimidazol-2-yl)-3-methylbutan-1-amine?
The InChIKey is HFGAWUJLYJNHOG-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N4O/c1-11(2)8-14(19)18-21-15-9-13(12-4-6-20-7-5-12)17(23-3)10-16(15)22-18/h4-7,9-11,14H,8,19H2,1-3H3,(H,21,22)/t14-/m1/s1.
What are the key properties of (1R)-1-(5-methoxy-6-pyridin-4-yl-1H-benzimidazol-2-yl)-3-methylbutan-1-amine?
(1R)-1-(5-methoxy-6-pyridin-4-yl-1H-benzimidazol-2-yl)-3-methylbutan-1-amine has a molecular weight of 310.40 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-methoxy-6-pyridin-4-yl-1H-benzimidazol-2-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 118864392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).