N-(4-methoxy-3-pyridinyl)-3-methyl-8H-pyrrolo[2,3-e]benzimidazol-7-amine

C16H15N5O — CID 123442510

IUPACN-(4-methoxy-3-pyridinyl)-3-methyl-8H-pyrrolo[2,3-e]benzimidazol-7-amine
SMILESCOc1ccncc1Nc1cc2ccc3c(ncn3C)c2[nH]1
InChIInChI=1S/C16H15N5O/c1-21-9-18-16-12(21)4-3-10-7-14(20-15(10)16)19-11-8-17-6-5-13(11)22-2/h3-9,19-20H,1-2H3
InChIKeyQHPYPXCAQXHCTF-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.20
Rot. Bonds3

About N-(4-methoxy-3-pyridinyl)-3-methyl-8H-pyrrolo[2,3-e]benzimidazol-7-amine

N-(4-methoxy-3-pyridinyl)-3-methyl-8H-pyrrolo[2,3-e]benzimidazol-7-amine (PubChem CID 123442510) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(4-methoxy-3-pyridinyl)-3-methyl-8H-pyrrolo[2,3-e]benzimidazol-7-amine.

Molecular Properties

Compound NameN-(4-methoxy-3-pyridinyl)-3-methyl-8H-pyrrolo[2,3-e]benzimidazol-7-amine
PubChem CID123442510
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC NameN-(4-methoxy-3-pyridinyl)-3-methyl-8H-pyrrolo[2,3-e]benzimidazol-7-amine
SMILESCOc1ccncc1Nc1cc2ccc3c(ncn3C)c2[nH]1
InChIInChI=1S/C16H15N5O/c1-21-9-18-16-12(21)4-3-10-7-14(20-15(10)16)19-11-8-17-6-5-13(11)22-2/h3-9,19-20H,1-2H3
InChIKeyQHPYPXCAQXHCTF-UHFFFAOYSA-N
XLogP3.20
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-3-methyl-8H-pyrrolo[2,3-e]benzimidazol-7-amine
CID 123570612
N-(5-chloro-2-methoxyphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride
CID 87944343
6-methyl-N-(4-propan-2-yloxy-3-pyridinyl)imidazo[4,5-e][1,3]benzothiazol-2-amine
CID 87944456
4-methoxy-3-[(6-methylimidazo[4,5-e][1,3]benzothiazol-2-yl)amino]benzonitrile
CID 87944232
N-(2-methoxy-4-nitrophenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine
CID 87944407
4-methoxy-N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]pyridin-3-amine
CID 99577205
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-6-methylimidazo[4,5-e][1,3]benzothiazol-2-amine;hydrochloride
CID 87944171
N-(2-methoxyphenyl)isoquinolin-8-amine
CID 82582626
N-(3-chloro-4-methoxyphenyl)-1H-pyrrolo[3,2-h]quinoline-2-carboxamide
CID 20925522
1-(2-methoxy-5-nitrophenyl)-3-(1-methylbenzimidazol-4-yl)thiourea
CID 86665418
4-(5-chloro-2-methoxyanilino)pyridine-3-carboxylic acid
CID 81232706
6-methoxy-9-(4-methoxyphenyl)-3-methylbenzo[f]benzimidazol-7-ol
CID 73352616

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-pyridinyl)-3-methyl-8H-pyrrolo[2,3-e]benzimidazol-7-amine?
The IUPAC name of N-(4-methoxy-3-pyridinyl)-3-methyl-8H-pyrrolo[2,3-e]benzimidazol-7-amine (CID 123442510) is N-(4-methoxy-3-pyridinyl)-3-methyl-8H-pyrrolo[2,3-e]benzimidazol-7-amine.
What is the SMILES notation for N-(4-methoxy-3-pyridinyl)-3-methyl-8H-pyrrolo[2,3-e]benzimidazol-7-amine?
The canonical SMILES for N-(4-methoxy-3-pyridinyl)-3-methyl-8H-pyrrolo[2,3-e]benzimidazol-7-amine is COc1ccncc1Nc1cc2ccc3c(ncn3C)c2[nH]1.
What is the InChIKey of N-(4-methoxy-3-pyridinyl)-3-methyl-8H-pyrrolo[2,3-e]benzimidazol-7-amine?
The InChIKey is QHPYPXCAQXHCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-21-9-18-16-12(21)4-3-10-7-14(20-15(10)16)19-11-8-17-6-5-13(11)22-2/h3-9,19-20H,1-2H3.
What are the key properties of N-(4-methoxy-3-pyridinyl)-3-methyl-8H-pyrrolo[2,3-e]benzimidazol-7-amine?
N-(4-methoxy-3-pyridinyl)-3-methyl-8H-pyrrolo[2,3-e]benzimidazol-7-amine has a molecular weight of 293.33 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-pyridinyl)-3-methyl-8H-pyrrolo[2,3-e]benzimidazol-7-amine is sourced from PubChem (CID 123442510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).