N-[(4-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)benzimidazol-5-amine

C22H22N4O — CID 66794115

IUPACN-[(4-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)benzimidazol-5-amine
SMILESCCc1ccc(CNc2ccc3c(c2)ncn3-c2ccc(OC)nc2)cc1
InChIInChI=1S/C22H22N4O/c1-3-16-4-6-17(7-5-16)13-23-18-8-10-21-20(12-18)25-15-26(21)19-9-11-22(27-2)24-14-19/h4-12,14-15,23H,3,13H2,1-2H3
InChIKeyRAUKTMKCVQXPNQ-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.60
Rot. Bonds6

About N-[(4-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)benzimidazol-5-amine

N-[(4-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)benzimidazol-5-amine (PubChem CID 66794115) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)benzimidazol-5-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)benzimidazol-5-amine
PubChem CID66794115
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC NameN-[(4-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)benzimidazol-5-amine
SMILESCCc1ccc(CNc2ccc3c(c2)ncn3-c2ccc(OC)nc2)cc1
InChIInChI=1S/C22H22N4O/c1-3-16-4-6-17(7-5-16)13-23-18-8-10-21-20(12-18)25-15-26(21)19-9-11-22(27-2)24-14-19/h4-12,14-15,23H,3,13H2,1-2H3
InChIKeyRAUKTMKCVQXPNQ-UHFFFAOYSA-N
XLogP4.60
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_bim(9)', 'substructure': 'N/A'}

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Related Compounds

Astemizole
CID 2247
1-(4-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]benzimidazol-5-amine
CID 3697969
2,4-Disubstituted Pyrimidine 2f
CID 5329419
2,4-Disubstituted Pyrimidine 2g
CID 5329420
2-(4-Fluorophenoxy)-4-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl)pyrimidine
CID 9910722
2-Phenoxy-4-[1-(piperidine-4-yl)-4-(4-fluorophenyl)-5-imidazolyl]pyrimidine
CID 15872388
N-(2-methoxybenzyl)-1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-amine
CID 662454
1-(4-methoxyphenyl)-N-(4-methylbenzyl)-1H-benzimidazol-5-amine
CID 4341432
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
CID 25183355
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]triazolo[4,5-b]pyridin-6-amine
CID 42602774
2-(4-(2-(2-methoxypyridin-3-yl)-4-methyl-1H-benzo[d]imidazol-6-yl)piperidin-1-yl)-N-methylethanamine
CID 45487360
7-(6-methoxy-3-pyridinyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57390672

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)benzimidazol-5-amine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)benzimidazol-5-amine (CID 66794115) is N-[(4-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)benzimidazol-5-amine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)benzimidazol-5-amine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)benzimidazol-5-amine is CCc1ccc(CNc2ccc3c(c2)ncn3-c2ccc(OC)nc2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)benzimidazol-5-amine?
The InChIKey is RAUKTMKCVQXPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-3-16-4-6-17(7-5-16)13-23-18-8-10-21-20(12-18)25-15-26(21)19-9-11-22(27-2)24-14-19/h4-12,14-15,23H,3,13H2,1-2H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)benzimidazol-5-amine?
N-[(4-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)benzimidazol-5-amine has a molecular weight of 358.45 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-1-(6-methoxy-3-pyridinyl)benzimidazol-5-amine is sourced from PubChem (CID 66794115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).