N-(2,5-dimethoxyphenyl)-3-methyl-8H-pyrrolo[2,3-e]benzimidazol-7-amine

C18H18N4O2 — CID 123570612

IUPACN-(2,5-dimethoxyphenyl)-3-methyl-8H-pyrrolo[2,3-e]benzimidazol-7-amine
SMILESCOc1ccc(OC)c(Nc2cc3ccc4c(ncn4C)c3[nH]2)c1
InChIInChI=1S/C18H18N4O2/c1-22-10-19-18-14(22)6-4-11-8-16(21-17(11)18)20-13-9-12(23-2)5-7-15(13)24-3/h4-10,20-21H,1-3H3
InChIKeyYWOSKDOICAAKPV-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.82
Rot. Bonds4

About N-(2,5-dimethoxyphenyl)-3-methyl-8H-pyrrolo[2,3-e]benzimidazol-7-amine

N-(2,5-dimethoxyphenyl)-3-methyl-8H-pyrrolo[2,3-e]benzimidazol-7-amine (PubChem CID 123570612) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-methyl-8H-pyrrolo[2,3-e]benzimidazol-7-amine.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-methyl-8H-pyrrolo[2,3-e]benzimidazol-7-amine
PubChem CID123570612
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-(2,5-dimethoxyphenyl)-3-methyl-8H-pyrrolo[2,3-e]benzimidazol-7-amine
SMILESCOc1ccc(OC)c(Nc2cc3ccc4c(ncn4C)c3[nH]2)c1
InChIInChI=1S/C18H18N4O2/c1-22-10-19-18-14(22)6-4-11-8-16(21-17(11)18)20-13-9-12(23-2)5-7-15(13)24-3/h4-10,20-21H,1-3H3
InChIKeyYWOSKDOICAAKPV-UHFFFAOYSA-N
XLogP3.82
TPSA64.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxy-3-pyridinyl)-3-methyl-8H-pyrrolo[2,3-e]benzimidazol-7-amine
CID 123442510
N-(5-chloro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride
CID 87944343
N-(2,5-dimethoxyphenyl)pyrimidin-4-amine
CID 152662763
N-(2,5-dimethoxyphenyl)-4-methylpyridin-2-amine
CID 91756707
2-N-(5-chloro-2-methoxyphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112904397
2-N,3-N-bis(2,5-dimethoxyphenyl)benzo[g]quinoxaline-2,3-diamine
CID 70166799
N-(2,5-dimethoxyphenyl)-7H-purin-6-amine
CID 756650
2-N-(2,5-dimethoxyphenyl)-6-methoxypyridine-2,3-diamine
CID 115320342
5-chloro-4-(2,5-dimethoxyanilino)-1H-pyrimidin-6-one
CID 136970505
N-(2,5-dimethoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5308295
4-N-(2,5-dimethoxyphenyl)-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877885
N-(2,5-dimethoxyphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 112914067

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-methyl-8H-pyrrolo[2,3-e]benzimidazol-7-amine?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-methyl-8H-pyrrolo[2,3-e]benzimidazol-7-amine (CID 123570612) is N-(2,5-dimethoxyphenyl)-3-methyl-8H-pyrrolo[2,3-e]benzimidazol-7-amine.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-methyl-8H-pyrrolo[2,3-e]benzimidazol-7-amine?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-methyl-8H-pyrrolo[2,3-e]benzimidazol-7-amine is COc1ccc(OC)c(Nc2cc3ccc4c(ncn4C)c3[nH]2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-methyl-8H-pyrrolo[2,3-e]benzimidazol-7-amine?
The InChIKey is YWOSKDOICAAKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-22-10-19-18-14(22)6-4-11-8-16(21-17(11)18)20-13-9-12(23-2)5-7-15(13)24-3/h4-10,20-21H,1-3H3.
What are the key properties of N-(2,5-dimethoxyphenyl)-3-methyl-8H-pyrrolo[2,3-e]benzimidazol-7-amine?
N-(2,5-dimethoxyphenyl)-3-methyl-8H-pyrrolo[2,3-e]benzimidazol-7-amine has a molecular weight of 322.37 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-methyl-8H-pyrrolo[2,3-e]benzimidazol-7-amine is sourced from PubChem (CID 123570612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).