(E)-N-methoxy-5-methyl-9-[(2-methylimidazol-1-yl)methyl]-6,7,8,9-tetrahydrocyclohepta[b]indol-10-imine

C20H24N4O — CID 143388427

IUPAC(E)-N-methoxy-5-methyl-9-[(2-methylimidazol-1-yl)methyl]-6,7,8,9-tetrahydrocyclohepta[b]indol-10-imine
SMILESCO/N=C1/c2c(n(C)c3ccccc23)CCCC1Cn1ccnc1C
InChIInChI=1S/C20H24N4O/c1-14-21-11-12-24(14)13-15-7-6-10-18-19(20(15)22-25-3)16-8-4-5-9-17(16)23(18)2/h4-5,8-9,11-12,15H,6-7,10,13H2,1-3H3/b22-20+
InChIKeyNVVJNJFRWOVXKW-LSDHQDQOSA-N
MW336.44 g/mol
LogP3.69
Rot. Bonds3

About (E)-N-methoxy-5-methyl-9-[(2-methylimidazol-1-yl)methyl]-6,7,8,9-tetrahydrocyclohepta[b]indol-10-imine

(E)-N-methoxy-5-methyl-9-[(2-methylimidazol-1-yl)methyl]-6,7,8,9-tetrahydrocyclohepta[b]indol-10-imine (PubChem CID 143388427) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is (E)-N-methoxy-5-methyl-9-[(2-methylimidazol-1-yl)methyl]-6,7,8,9-tetrahydrocyclohepta[b]indol-10-imine.

Molecular Properties

Compound Name(E)-N-methoxy-5-methyl-9-[(2-methylimidazol-1-yl)methyl]-6,7,8,9-tetrahydrocyclohepta[b]indol-10-imine
PubChem CID143388427
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name(E)-N-methoxy-5-methyl-9-[(2-methylimidazol-1-yl)methyl]-6,7,8,9-tetrahydrocyclohepta[b]indol-10-imine
SMILESCO/N=C1/c2c(n(C)c3ccccc23)CCCC1Cn1ccnc1C
InChIInChI=1S/C20H24N4O/c1-14-21-11-12-24(14)13-15-7-6-10-18-19(20(15)22-25-3)16-8-4-5-9-17(16)23(18)2/h4-5,8-9,11-12,15H,6-7,10,13H2,1-3H3/b22-20+
InChIKeyNVVJNJFRWOVXKW-LSDHQDQOSA-N
XLogP3.69
TPSA44.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Dazmegrel
CID 53555
2-(Hydroxyamino)-1-methyl-6-phenylimidazo(4,5-b)pyridine
CID 104954
NS-2710
CID 9863520
3-Imidazol-1-ylmethyl-1H-indole
CID 792486
3-Imidazol-1-yl-quinoline
CID 12354256
UK 34787
CID 194468
1-Ethyl-3-imidazol-1-ylmethyl-1H-indole
CID 10331244
(R)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11710453
1-methoxy-2-phenyl-1H-imidazo[4,5-b]pyridine
CID 1483116
2-(1-Methyl-1H-imidazo[4,5-c]pyridin-2-yl)quinoline
CID 621221
1-Ethyl-5-(imidazol-1-yl-phenyl-methyl)-1H-indole
CID 44341253

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-5-methyl-9-[(2-methylimidazol-1-yl)methyl]-6,7,8,9-tetrahydrocyclohepta[b]indol-10-imine?
The IUPAC name of (E)-N-methoxy-5-methyl-9-[(2-methylimidazol-1-yl)methyl]-6,7,8,9-tetrahydrocyclohepta[b]indol-10-imine (CID 143388427) is (E)-N-methoxy-5-methyl-9-[(2-methylimidazol-1-yl)methyl]-6,7,8,9-tetrahydrocyclohepta[b]indol-10-imine.
What is the SMILES notation for (E)-N-methoxy-5-methyl-9-[(2-methylimidazol-1-yl)methyl]-6,7,8,9-tetrahydrocyclohepta[b]indol-10-imine?
The canonical SMILES for (E)-N-methoxy-5-methyl-9-[(2-methylimidazol-1-yl)methyl]-6,7,8,9-tetrahydrocyclohepta[b]indol-10-imine is CO/N=C1/c2c(n(C)c3ccccc23)CCCC1Cn1ccnc1C.
What is the InChIKey of (E)-N-methoxy-5-methyl-9-[(2-methylimidazol-1-yl)methyl]-6,7,8,9-tetrahydrocyclohepta[b]indol-10-imine?
The InChIKey is NVVJNJFRWOVXKW-LSDHQDQOSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14-21-11-12-24(14)13-15-7-6-10-18-19(20(15)22-25-3)16-8-4-5-9-17(16)23(18)2/h4-5,8-9,11-12,15H,6-7,10,13H2,1-3H3/b22-20+.
What are the key properties of (E)-N-methoxy-5-methyl-9-[(2-methylimidazol-1-yl)methyl]-6,7,8,9-tetrahydrocyclohepta[b]indol-10-imine?
(E)-N-methoxy-5-methyl-9-[(2-methylimidazol-1-yl)methyl]-6,7,8,9-tetrahydrocyclohepta[b]indol-10-imine has a molecular weight of 336.44 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-5-methyl-9-[(2-methylimidazol-1-yl)methyl]-6,7,8,9-tetrahydrocyclohepta[b]indol-10-imine is sourced from PubChem (CID 143388427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).